SCHEMBL10948748

SCHEMBL10948748

Cc1c(C(=O)O)sc2ccc(CO)cc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.60
GPR35 Q9HC97 3/20 0.55
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 3/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PRNP P04156 1/20 0.42
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 1/20 0.41
CMA1 P23946 1/20 0.40
HSD11B1 P28845 1/20 0.39
EDNRA P25101 1/20 0.38
ROCK1 Q13464 1/20 0.38
CA2 P00918 1/20 0.37
BCKDK O14874 1/20 0.36

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
SCHEMBL9613211 0.88 TBXAS1 (0.60) TBXAS1GPR35RXFP1PKMNPSR1
SCHEMBL10952974 0.88 TBXAS1 (0.60) TBXAS1GPR35HSD17B10RXFP1PKM
SCHEMBL9757026 0.86 TBXAS1 (0.58) TBXAS1GPR35RXFP1PKMNPSR1
SCHEMBL2895952 0.80 GPR35 (0.62) TBXAS1GPR35RXFP1PKMNPSR1
SCHEMBL9757077 0.79 GPR35 (0.65) TBXAS1GPR35RXFP1PKMNPSR1
SCHEMBL122587 0.78 GPR35 (0.58) TBXAS1GPR35RXFP1PKMNPSR1
SCHEMBL1066852 0.78 GPR35 (0.58) TBXAS1GPR35HSD17B10RXFP1PKM
SCHEMBL2896475 0.78 GPR35 (0.58) TBXAS1GPR35RXFP1PKMNPSR1
SCHEMBL2893771 0.78 GPR35 (0.58) TBXAS1GPR35RXFP1PKMNPSR1
SCHEMBL12553288 0.77 EDNRA (0.64) TBXAS1GPR35HSD17B10MCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551468-A INDOLE, BENZOFURANS, BENZOTHIOPHENES PFIZER INC. (US) 1985-11-05 US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 EP disclosed
US-4410539-A Heterocyclic thromboxane synthetase inhibitors and pharmaceutical compositions containing them PFIZER INC. (US) 1983-10-18 US disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 EP disclosed