SCHEMBL7755682

SCHEMBL7755682

Cc1c(-c2nc3cc(F)ccc3s2)c2ccccc2n1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.56
AKR1A1 P14550 2/20 0.53
AKR1B1 P15121 2/20 0.53
PTGDR Q13258 2/20 0.48
PTGIR P43119 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7754412 0.92 PTGDR2 (0.56) PTGDR2AKR1A1AKR1B1PTGDRPTGIR
SCHEMBL7205581 0.87 AKR1B1 (0.55) PTGDR2AKR1A1AKR1B1
SCHEMBL317185 0.82 PTGDR2 (0.66) PTGDR2AKR1B1CYP2C9
SCHEMBL2100600 0.82 AKR1B1 (0.53) PTGDR2AKR1A1AKR1B1
SCHEMBL7755700 0.79 PTGDR2 (0.65) PTGDR2AKR1A1AKR1B1
SCHEMBL7755971 0.78 PTGDR2 (0.50) PTGDR2AKR1A1AKR1B1CYP2C9
SCHEMBL2098715 0.77 AKR1B1 (0.70) PTGDR2AKR1A1AKR1B1
SCHEMBL1757491 0.76 PTGDR2 (0.73) PTGDR2AKR1A1AKR1B1PTGDRCYP2C9
Water SCHEMBL5501664 0.76 AKR1B1 (0.69) PTGDR2AKR1A1AKR1B1
SCHEMBL7947673 0.75 AKR1B1 (0.57) PTGDR2AKR1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1205207-C Substituted indolealkanoic acids INST FOR PHARMACEUTICAL DESCOV (US) 2005-06-08 CN disclosed
CN-1368883-A Method for lowering serum glucose and triglyceride levels and inhibiting angiogenesis using indolealkanoic acids INST PHARMACEUTICAL DISCOVERY (US) 2002-09-11 CN disclosed
WO-2001051489-A2 METHODS FOR LOWERING URIC ACID LEVELS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-07-19 WO disclosed
CN-1296485-A Substituted indolealkanoic acids INST FOR PHARM DISCOVERY INC (US) 2001-05-23 CN disclosed
EP-1066283-A2 SUBSTITUTED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-01-10 EP disclosed
WO-1999050268-A2 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 1999-10-07 WO disclosed