SCHEMBL8985484

SCHEMBL8985484

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.62
MAPK14 Q16539 7/20 0.52
PTGS2 P35354 2/20 0.52
PTGS1 P23219 1/20 0.52
EP300 Q09472 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CLK1 P49759 2/20 0.43
GSK3B P49841 1/20 0.43
MAPT P10636 2/20 0.42
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 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
SCHEMBL8985468 0.94 OPRD1 (0.70) OPRD1MAPK14PTGS2PTGS1EP300
SCHEMBL8985467 0.91 MAPK14 (0.60) OPRD1MAPK14PTGS2PTGS1NPC1
SCHEMBL8985225 0.86 MAPK14 (0.55) OPRD1MAPK14PTGS2PTGS1NPC1
SCHEMBL8985383 0.86 MAPK14 (0.70) OPRD1MAPK14PTGS2PTGS1EP300
SCHEMBL8985362 0.86 OPRD1 (0.71) OPRD1MAPK14PTGS2PTGS1EP300
SCHEMBL8985230 0.85 OPRD1 (0.60) OPRD1PTGS2PTGS1EP300NPC1
SCHEMBL8985446 0.84 OPRD1 (0.58) OPRD1PTGS2PTGS1EP300HPGD
SCHEMBL8985495 0.82 MAPK14 (0.52) OPRD1MAPK14PTGS2PTGS1NPC1
SCHEMBL8985323 0.82 MAPK14 (0.52) OPRD1MAPK14PTGS2PTGS1NPC1
SCHEMBL8985276 0.82 OPRD1 (0.66) OPRD1MAPK14PTGS2PTGS1EP300

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