SCHEMBL7196305

SCHEMBL7196305

O=C(O)CC(C(=O)O)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.31
CA1 known ✓ P00915 1/20 0.31
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
FOLH1 Q04609 2/20 0.33
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Potassium Ion SCHEMBL11335155 0.95 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL29913440 0.84 SLC22A6 (0.35) TDP1SMN1; SMN2SLC22A6GABRR1CA2
SCHEMBL31745565 0.78 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL9004945 0.76 MEN1 (0.30) MEN1ALDH1A1TSHRKMT2A
SCHEMBL31265939 0.76 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL26983125 0.75 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL10698540 0.75 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL10698543 0.75 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL11360544 0.75 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL9777404 0.75 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848937-B Biodegradable polyester with high gas barrier property and preparation method and application thereof 浙江大学 2021-06-29 CN disclosed
CN-111848937-A Biodegradable polyester with high gas barrier property and preparation method and application thereof 浙江大学 2020-10-30 CN disclosed
US-6589324-B2 Surface treatment solution consists of a mixture of aluminum salt and an inorganic oxide particle, an aluminum containing inorganic particle comprising aluminum, oxygen and one other element; other metal salt; phosphorus compound and a resin TOYO BOSEKI KABUSHIKI KAISHA (JP) 2003-07-08 US disclosed
EP-0952193-B1 Agent for treating metallic surface, surface-treated metal material and coated metal material TOYO BOSEKI (JP) 2003-03-05 EP disclosed
US-20020098345-A1 AGENT FOR TREATING METALLIC SURFACE, SURFACE-TREATED METAL MATERIAL AND COATED METAL MATERIAL TOYO BOSEKI KABUSHIKI KAISHA (JP) 2002-07-25 US disclosed
EP-0952193-A1 Agent for treating metallic surface, surface-treated metal material and coated metal material Toyo Boseki Kabushiki Kaisha (JP) 1999-10-27 EP disclosed
EP-0850969-A1 Functional group terminated polymers containing sulfonate group via polymerizarion of sulfonated monomers WITCO CORPORATION (US) 1998-07-01 EP disclosed
EP-0849299-A1 Polyurethane synthesis from polyesters containing sulfonate groups WITCO CORPORATION (US) 1998-06-24 EP disclosed
US-5530093-A SOIL RELEASE AGENTS, ANTISTATIC AGENTS FOR TEXTILE FINISHING CASSELLA AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-5492995-A HYDROPHILIC BLOCK POLYMER CONTAINING POLYESTER ANDPOLYSILOXANE UNITS; TEXTILE FINISHING HOECHST AKTIENGSELLSCHAFT (DE) 1996-02-20 US disclosed
US-5488123-A SULFONATED; TEXTILE FINISHING; ANTISOILANTS, ANTISTATIC AGENTS CASSELLA AG (DE) 1996-01-30 US disclosed
US-5240780-A Pressure sensitive adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-31 US disclosed
EP-0327763-A2 Colored salts of polymeric sulfonate polyanions and dye cations, and light-absorbing coatings made therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-16 EP disclosed
EP-0307867-A2 Light-sensitive silver halide photographic material having superior sharpness and feasible for ultra-rapid processing KONICA CORPORATION (JP) 1989-03-22 EP disclosed
US-4250296-A SULFO-CONTAINING POLYESTER REACTED WITH AN ETHERIFIED OR ESTERIFIED POLYOXYETHYLENE GLYCOL CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed