SCHEMBL4755481

SCHEMBL4755481

COC(=O)C(Cl)Cc1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
PPARG P37231 10/20 0.53
PPARD Q03181 6/20 0.53
PPARA Q07869 5/20 0.53
MAOB P27338 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4393180 0.89 LTA4H (0.67) LTA4HPPARGPPARDPPARAMAOB
SCHEMBL7033327 0.88 PPARG (0.67) LTA4HPPARGPPARDPPARAMAOB
SCHEMBL3939992 0.87 LTA4H (0.59) LTA4HPPARGPPARDPPARAMAOB
SCHEMBL4758161 0.82 PPARA (0.60) LTA4HPPARGPPARDPPARA
SCHEMBL3204956 0.81 ATM (0.53) MAPTL3MBTL1RAB9A
SCHEMBL5689720 0.80 LTA4H (0.51) LTA4HPPARGPPARDPPARAMAOB
Ammonia Solution, Strong SCHEMBL20513680 0.80 ATM (0.51) MAPTL3MBTL1RAB9A
SCHEMBL3938329 0.79 ESR1 (0.49) LTA4HPPARGPPARDPPARAMAPT
Methylene Chloride SCHEMBL29038775 0.78 ATM (0.50) MAPTL3MBTL1RAB9A
SCHEMBL3105018 0.78 LTA4H (0.52) LTA4HPPARGMAPTL3MBTL1RAB9A

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-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed