SCHEMBL6528529

SCHEMBL6528529

CCOC(=O)C(Cc1ccc(C#CCN2CCc3ccccc32)cc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.47
ALDH1A1 P00352 1/20 0.39
NOTUM Q6P988 1/20 0.39
PPARA Q07869 13/20 0.39
PPARD Q03181 7/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6531482 0.84 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL6528869 0.78 PPARG (0.46) PPARGPPARA
SCHEMBL6529670 0.78 PPARG (0.48) PPARGALDH1A1PPARA
SCHEMBL5662331 0.77 PPARG (0.47) PPARGALDH1A1NOTUMPPARANPC1
SCHEMBL7106185 0.76 PPARG (0.63) PPARGALDH1A1PPARAPPARD
SCHEMBL6532464 0.76 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL7532094 0.73 PPARG (0.83) PPARGPPARAPPARD
SCHEMBL7528281 0.73 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6528105 0.72 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL5659247 0.72 PPARG (0.46) PPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed