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SCHEMBL9742153

SCHEMBL9742153

CCCc1cc(Cl)c2oc(C(OCC(=O)O)c3ccccc3)c(C)c2c1O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 12/20 0.55
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 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
SCHEMBL10567065 0.79 ALOX5 (0.48) ALOX5ALOX15PPARGPPARA
SCHEMBL9739801 0.72 ALOX5 (0.67) ALOX5ALOX15KDM4EALDH1A1
SCHEMBL9739829 0.72 ALOX5 (0.60) ALOX5ALOX15KDM4EALDH1A1
SCHEMBL9739591 0.71 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9740342 0.71 ALOX5 (1.00) ALOX5ALOX15KDM4EALDH1A1HPGD
SCHEMBL9739893 0.69 ALOX5 (0.54) ALOX5ALOX15KDM4EALDH1A1HSD17B10
SCHEMBL10603436 0.69 ALOX5 (0.78) ALOX5ALOX15ALDH1A1HPGDHSD17B10
SCHEMBL9739648 0.66 ALOX5 (0.87) ALOX5ALOX15
SCHEMBL9740227 0.66 ALOX5 (0.65) ALOX5ALOX15KDM4EALDH1A1HSD17B10
SCHEMBL11022249 0.66 ALOX5 (0.35) ALOX5ALOX15KDM4EHSD17B10PPARG

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-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 — — US disclosed