SCHEMBL9866780

SCHEMBL9866780

Cc1coc2c(C(=O)c3cccs3)cc(C(C)(C)C)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
PTGS1 P23219 3/20 0.55
PTGS2 P35354 3/20 0.55
HPGD P15428 3/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL9867089 0.82 MAPK1 (0.41) ALOX5PTGS1PTGS2HPGDALDH1A1
SCHEMBL9867900 0.81 HPGD (0.44) ALOX5PTGS1PTGS2HPGDCASP3
SCHEMBL9867830 0.80 ALOX5 (0.43) ALOX5PTGS1PTGS2HPGDCASP3
SCHEMBL9864126 0.79 USP2 (0.47) ALOX5PTGS1PTGS2HPGDCASP3
SCHEMBL9869017 0.79 ALOX5 (0.52) ALOX5PTGS1PTGS2HPGDCASP3
SCHEMBL9867836 0.78 SIRT1 (0.46) PTGS2HPGDALDH1A1MAPTALOX15
SCHEMBL9866663 0.77 ALOX5 (0.47) ALOX5PTGS1PTGS2HPGDALDH1A1
SCHEMBL9868331 0.75 CYP2C9 (0.44) PTGS1PTGS2ALDH1A1MAPTALOX15
SCHEMBL9867484 0.74 MAPT (0.47) HPGDCASP3SENP7SENP6ALDH1A1
Prifelone SCHEMBL42678 0.72 PTGS1 (1.00) ALOX5PTGS1PTGS2HPGDALDH1A1

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-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US claimed
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed