SCHEMBL8985252

SCHEMBL8985252

CC(=O)c1cc(-c2ccc([S+](C)[O-])cc2)c(-c2ccc(NCC=O)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
OPRD1 P41143 1/20 0.39
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
EP300 Q09472 2/20 0.33
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL8985478 0.85 MAPK14 (0.48) MAPK14OPRD1PTGS1PTGS2EP300
SCHEMBL8985328 0.84 PTGS1 (0.43) PTGS1PTGS2
SCHEMBL8985336 0.83 MAPK14 (0.45) MAPK14OPRD1PTGS1PTGS2EP300
SCHEMBL8985521 0.83 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL8985372 0.80 PTGS2 (0.34) PTGS1PTGS2
SCHEMBL8985255 0.79 MAPK14 (0.45) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985373 0.78 OPRD1 (0.61) MAPK14OPRD1PTGS1PTGS2EP300
SCHEMBL8985448 0.74 OPRD1 (0.39) MAPK14OPRD1PTGS1PTGS2EP300
SCHEMBL8985469 0.74 AURKA (0.47) OPRD1PTGS1PTGS2
SCHEMBL8985406 0.71 MAPK14 (0.51) MAPK14OPRD1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed