SCHEMBL7100617

SCHEMBL7100617

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

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.45
CA1 known ✓ P00915 2/20 0.42
GPR84 Q9NQS5 6/20 0.39
NFKB1 P19838 2/20 0.36
TP53 P04637 1/20 0.36
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL472821 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL1283043 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL9651098 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7095269 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL223462 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL626431 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7100032 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7098224 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL15520 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53
SCHEMBL7207855 1.00 CA2 (0.45) CA2CA1GPR84NFKB1TP53

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635548-B1 Thermoplastic resin composition MITSUBISHI CHEM CORP (JP) 1998-03-11 EP claimed
EP-0374837-B1 Stabilization of precipitated dispersions of hydrophobic couplers EASTMAN KODAK CO (US) 1995-03-01 EP claimed
EP-0964036-B1 Water-based ball-point pen ink composition PILOT INK CO LTD (JP) 2003-08-27 EP disclosed
EP-1227800-A1 OSMOTIC CONTROLLED RELEASE DRUG DELIVERY DEVICE Merck & Co., Inc. (US) 2002-08-07 EP disclosed
US-6261352-B1 BETAINE, SULFO ESTER THE PILOT INK CO., LTD. (JP) 2001-07-17 US disclosed
WO-2001032149-A1 OSMOTIC CONTROLLED RELEASE DRUG DELIVERY DEVICE MERCK & CO., INC. (US) 2001-05-10 WO disclosed
EP-0964036-A2 Water-based ball-point pen ink composition THE PILOT INK CO., LTD. (JP) 1999-12-15 EP disclosed
EP-0604883-A2 Process for preparing porous hydrophilic membranes HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-06 EP disclosed
EP-0511120-A1 Testing device TERUMO KABUSHIKI KAISHA (JP) 1992-10-28 EP disclosed
EP-0160239-B1 TEST PIECE FOR DETECTING BILIRUBIN TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1991-08-14 EP disclosed
EP-0169105-B1 CONTROLLED POROSITY OSMOTIC PUMP MERCK & CO. INC. (US) 1991-08-07 EP disclosed
EP-0160240-A2 Test piece for detecting nitrite TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-11-06 EP disclosed
EP-0160239-A2 Test piece for detecting bilirubin TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-11-06 EP disclosed
EP-0158964-A2 Tester for detecting a substance in a body fluid TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-10-23 EP disclosed
US-4256108-A Microporous-semipermeable laminated osmotic system ALZA CORPORATION (US) 1981-03-17 US disclosed
US-4160452-A Osmotic system having laminated wall comprising semipermeable lamina and microporous lamina ALZA CORPORATION (US) 1979-07-10 US disclosed
US-4160020-A CELLULOSE ESTERS, CELLULOSE ETHERS ALZA CORPORATION (US) 1979-07-03 US disclosed
US-4077407-A POLYSACCHARIDES ALZA CORPORATION (US) 1978-03-07 US disclosed
US-4058122-A Osmotic system with laminated wall formed of different materials ALZA CORPORATION (US) 1977-11-15 US disclosed
US-4008719-A Osmotic system having laminar arrangement for programming delivery of active agent ALZA CORPORATION (US) 1977-02-22 US disclosed