SCHEMBL20693059

SCHEMBL20693059

COc1ccc(CC(=O)C(Cc2ccc(OCc3ccccc3)cc2)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.49
▸ MAOB P27338 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LTB4R Q15722 1/20 0.45
▸ LTB4R2 Q9NPC1 1/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42

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
SCHEMBL16634946 0.86 ITGB3 (0.55) ALOX5MAOBFFAR1LTA4HITGB3
SCHEMBL6474783 0.86 ITGB3 (0.55) ALOX5MAOBFFAR1LTA4HITGB3
SCHEMBL29397771 0.86 ITGB3 (0.55) ALOX5MAOBFFAR1LTA4HITGB3
SCHEMBL20693063 0.85 ALOX5 (0.42) ALOX5MAOBLTB4RLTB4R2FFAR1
SCHEMBL18918265 0.84 LTA4H (0.52) ALOX5MAOBLTB4RLTB4R2FFAR1
SCHEMBL20693061 0.84 MAOB (0.48) ALOX5MAOBFFAR1LTA4HITGB3
SCHEMBL6942693 0.80 LDHA (0.54) L3MBTL1ITGB3ITGA2BPPARGPPARA
SCHEMBL3776724 0.80 LDHA (0.54) L3MBTL1ITGB3ITGA2BPPARGPPARA
SCHEMBL24443461 0.80 MAPT (0.49) L3MBTL1NPC1POLBRAB9APPARG
SCHEMBL6890932 0.79 PSMB1 (0.49) MAOBLTB4RLTB4R2FFAR1

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
WO-2019018890-A1 NOVEL SPIROCYCLIC COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2019-01-31 — — WO disclosed
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