SCHEMBL6204789

SCHEMBL6204789

CCCOC(CCOCC)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.58
PPARA Q07869 17/20 0.58
PPARD Q03181 6/20 0.52

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
SCHEMBL4026023 0.94 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4033036 0.93 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4032008 0.89 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4027397 0.89 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4027823 0.87 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4029805 0.87 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL4030774 0.86 FFAR1 (0.52) PPARGPPARAPPARD
SCHEMBL4028932 0.85 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL4028342 0.85 PPARA (0.51) PPARGPPARA
SCHEMBL4031995 0.85 PPARG (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO disclosed