SCHEMBL8985336

SCHEMBL8985336

CSc1ccc(-c2cc(C(C)=O)sc2-c2ccc(NCC=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.45
OPRD1 P41143 1/20 0.39
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.34
HAO1 Q9UJM8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
UBE2N P61088 1/20 0.34
EP300 Q09472 2/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.32
USP2 O75604 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL8985448 0.90 OPRD1 (0.39) MAPK14OPRD1PTGS2PTGS1ALDH1A1
SCHEMBL8985524 0.86 MAPK14 (0.51) MAPK14OPRD1PTGS2PTGS1ALDH1A1
SCHEMBL8985226 0.85 MAPK14 (0.47) MAPK14OPRD1PTGS2PTGS1ALDH1A1
SCHEMBL8985491 0.84 PTGS2 (0.43) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL8985252 0.83 MAPK14 (0.44) MAPK14OPRD1PTGS2PTGS1EP300
SCHEMBL8985459 0.83 CYP1A2 (0.37) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL8985319 0.80 PTGS2 (0.34) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL8985419 0.78 MAPK14 (0.52) MAPK14OPRD1PTGS2PTGS1ALDH1A1
SCHEMBL8985272 0.78 MAPK14 (0.52) MAPK14OPRD1PTGS2PTGS1ALDH1A1
SCHEMBL8985338 0.77 MAPK14 (0.46) MAPK14OPRD1PTGS2PTGS1L3MBTL1

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