SCHEMBL8985383

SCHEMBL8985383

COc1ccc(-c2cc(C(C)=O)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.70
OPRD1 P41143 1/20 0.67
PTGS2 P35354 4/20 0.55
PTGS1 P23219 2/20 0.55
EP300 Q09472 1/20 0.48
GSK3B P49841 1/20 0.45
BACE1 P56817 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43

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
SCHEMBL8985516 0.90 MAPK14 (0.83) MAPK14OPRD1PTGS2PTGS1KDM4E
SCHEMBL8985362 0.89 OPRD1 (0.71) MAPK14OPRD1PTGS2PTGS1EP300
SCHEMBL8985484 0.86 OPRD1 (0.62) MAPK14OPRD1PTGS2PTGS1EP300
SCHEMBL8985276 0.86 OPRD1 (0.66) MAPK14OPRD1PTGS2PTGS1EP300
SCHEMBL8985533 0.84 OPRD1 (0.64) MAPK14OPRD1PTGS2PTGS1EP300
SCHEMBL8985409 0.84 MAPK14 (0.75) MAPK14OPRD1PTGS2PTGS1EP300
SCHEMBL8985250 0.83 MAPK14 (0.73) MAPK14OPRD1PTGS2PTGS1KDM4E
SCHEMBL8985453 0.83 OPRD1 (0.62) MAPK14OPRD1PTGS2PTGS1EP300
SCHEMBL17542551 0.82 MAPK14 (1.00) MAPK14PTGS2PTGS1
SCHEMBL8985373 0.82 OPRD1 (0.61) MAPK14OPRD1PTGS2PTGS1EP300

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 3 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
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed