SCHEMBL18889043

SCHEMBL18889043

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

nearest known ligand 0.67

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
CA4 known ✓ P22748 1/20 0.37
HMGCR known ✓ P04035 1/20 0.34
CPT2 P23786 1/20 0.67
ACLY P53396 1/20 0.67
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 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 SCHEMBL6843939 0.83 CPT2 (0.50) CPT2ACLYCA4
Potassium Ion SCHEMBL2966012 0.83 ACLY (0.50) CPT2ACLYCA4HSPD1BLM
Water SCHEMBL2961261 0.82 ACLY (0.48) CPT2ACLYCA4HSPD1BLM
SCHEMBL2111332 0.80 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL17181757 0.80 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL6773065 0.80 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL721435 0.80 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL2110910 0.80 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL17181773 0.80 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL108615 0.80 ACLY (1.00) CPT2ACLYHSPD1BLMHSPE1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11027523-B2 Polyester film incorporating silicone for release of canned meat products TORAY PLASTICS (AMERICA), INC. (US) 2021-06-08 US disclosed
EP-3658611-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS Toray Plastics (America), Inc. (US) 2020-06-03 EP disclosed
WO-2019023411-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. (US) 2019-01-31 WO disclosed
EP-3423517-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS Toray Plastics (America) , Inc. (US) 2019-01-09 EP disclosed
EP-3277499-A1 SILICONE COATED POLYESTER FILM FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. (US) 2018-02-07 EP disclosed
US-20170326842-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. 2017-11-16 US disclosed
WO-2017093914-A1 SILICONE COATED POLYESTER FILM FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. (US) 2017-06-08 WO disclosed
US-20170152075-A1 SILICONE COATED POLYESTER FILM FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA) INC. 2017-06-01 US disclosed
US-20170152356-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA) INC. 2017-06-01 US disclosed