SCHEMBL6201299

SCHEMBL6201299

CCCO[C@H](COCC)Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.59
PPARA Q07869 15/20 0.59
FFAR1 O14842 1/20 0.56
PPARD Q03181 2/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL4028338 0.93 PPARG (0.59) PPARGPPARAFFAR1PPARDKDR
SCHEMBL6201108 0.89 PPARG (0.60) PPARGPPARAFFAR1PPARDKDR
SCHEMBL6203280 0.89 FFAR1 (0.58) PPARGPPARAFFAR1PPARDKDR
SCHEMBL4028563 0.86 FFAR1 (0.60) PPARGPPARAFFAR1PPARDKDR
SCHEMBL13633933 0.86 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL4025975 0.85 FFAR1 (0.58) PPARGPPARAFFAR1PPARDKDR
SCHEMBL6204434 0.83 FFAR1 (0.59) PPARGPPARAFFAR1PPARD
SCHEMBL4026910 0.82 FFAR1 (0.63) PPARGPPARAFFAR1PPARDKDR
SCHEMBL4027559 0.82 FFAR1 (0.60) PPARGPPARAFFAR1PPARDKDR
SCHEMBL4029576 0.81 FFAR1 (0.58) PPARGPPARAFFAR1PPARDKDR

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