SCHEMBL9869017

SCHEMBL9869017

Cc1c(C(=O)O)oc2c(C(=O)c3cccs3)cc(C(C)(C)C)c(O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
ALOX15 P16050 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PSMD14 O00487 1/20 0.39
MMP2 P08253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 3/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
DAO P14920 1/20 0.35
HPGDS O60760 1/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 4/20 0.35

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
SCHEMBL9866663 0.87 ALOX5 (0.47) ALOX5PTGS1PTGS2MAPTALDH1A1
SCHEMBL9867950 0.84 NPC1 (0.38) ALOX5PTGS1PTGS2ALDH1A1HPGD
SCHEMBL9868498 0.80 GLRA3 (0.49) ALOX5PTGS1PTGS2ALDH1A1HSD17B10
SCHEMBL9868574 0.79 MCL1 (0.39) ALOX5PTGS2LMNAMAPTALDH1A1
SCHEMBL9866780 0.79 ALOX5 (0.55) ALOX5PTGS1PTGS2ALOX15LMNA
SCHEMBL9866669 0.76 ALOX5 (0.40) ALOX5PTGS1PTGS2ALOX15LMNA
SCHEMBL10439859 0.76 ALDH1A1 (0.40) ALOX15LMNAMAPTALDH1A1PSMD14
SCHEMBL9866645 0.76 EDNRA (0.50) ALOX15LMNAMAPTALDH1A1PSMD14
SCHEMBL9867508 0.72 NPC1 (0.45) ALOX5MAPTALDH1A1HSD17B10HPGD
SCHEMBL10439698 0.70 ALOX15 (0.48) ALOX5PTGS1PTGS2ALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed