SCHEMBL4026410

SCHEMBL4026410

CCC(COC(C)c1ccc(OCCc2nc(-c3cc4ccccc4s3)oc2C)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.59
PPARA Q07869 15/20 0.59
PPARD Q03181 3/20 0.44

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
SCHEMBL4030685 0.93 PPARA (0.51) PPARGPPARA
SCHEMBL4029192 0.87 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4034329 0.85 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL4036934 0.81 PPARG (0.57) PPARGPPARA
SCHEMBL4027331 0.80 FFAR1 (0.49) PPARGPPARA
SCHEMBL4036937 0.80 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL4034330 0.79 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL5461283 0.78 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4032167 0.78 PPARA (0.47) PPARGPPARA
SCHEMBL7909907 0.78 FFAR1 (0.59) PPARGPPARAPPARD

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
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed