SCHEMBL6771809

SCHEMBL6771809

COc1cc(CC(C)C)ccc1B(O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
ALOX15 P16050 3/20 0.47
ALOX12 P18054 3/20 0.47
LDHA P00338 1/20 0.46
TRPV1 Q8NER1 4/20 0.46
MMP1 P03956 1/20 0.45
CYP3A4 P08684 1/20 0.45
ENPP2 Q13822 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CA2 P00918 1/20 0.40

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
SCHEMBL24804536 0.83 LDHA (0.55) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29954423 0.80 ENPP2 (0.48) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12121962 0.80 PTGS2 (0.48) FOSTTRJUNNR3C1HSD17B1
SCHEMBL15141835 0.80 ENPP2 (0.48) FOSTTRJUNNR3C1HSD17B1
SCHEMBL806723 0.80 CA2 (0.63) FOSTTRJUNNR3C1HSD17B1
SCHEMBL25379648 0.79 ENPP2 (0.47) FOSTTRJUNNR3C1HSD17B1
SCHEMBL11571527 0.79 FOS (0.80) FOSTTRJUNNR3C1HSD17B1
SCHEMBL24803567 0.79 LDHA (0.54) ALOX15LDHATRPV1
SCHEMBL25494055 0.77 GABRA1 (0.56) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6126233 0.77 FOS (0.51) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
CN-1066441-C Phenyl sulfonamide endothelin antagonists SQUIBB & SONS INC (US) 2001-05-30 CN disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
CN-1084515-A Phenyl sulfamoyl endothelium (endothelin) antagonistic SQUIBB & SONS INC (US) 1994-03-30 CN disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP disclosed