SCHEMBL9102047

SCHEMBL9102047

CNc1ccc(S(=O)(=O)c2cc(F)cc([C@@]3(OC)CCO[C@@H](C)C3)c2)cc1CCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 1/20 0.32
ALOX5 P09917 2/20 0.30
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL9100848 1.00 CYP26B1 (0.32) CYP26B1ALOX5PTGS1PTGS2KEAP1
SCHEMBL9097980 0.83 ALOX5 (0.31) ALOX5
SCHEMBL9097989 0.83 ALOX5 (0.31) ALOX5
SCHEMBL9050402 0.75
SCHEMBL9076299 0.74 ALOX5 (0.30) ALOX5PTGS1PTGS2
SCHEMBL9050113 0.74 ALOX5 (0.30) ALOX5PTGS1PTGS2
SCHEMBL9076298 0.74 ALOX5 (0.30) ALOX5PTGS1PTGS2
SCHEMBL9367656 0.72 ALOX5 (0.56) ALOX5
SCHEMBL9101412 0.71 ALOX5 (0.39) ALOX5PTGS1PTGS2
SCHEMBL9098432 0.71 ALOX5 (0.42) ALOX5

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
EP-0702678-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP claimed
WO-1994029291-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO claimed
EP-0702678-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029291-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO disclosed