SCHEMBL4031983

SCHEMBL4031983

CCO[C@H](CSCC)Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.60
PPARA Q07869 16/20 0.60
FFAR1 O14842 1/20 0.57
KDR P35968 1/20 0.49
PPARD Q03181 3/20 0.49

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
SCHEMBL4025385 0.91 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4029576 0.87 FFAR1 (0.58) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4028563 0.87 FFAR1 (0.60) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4027559 0.87 FFAR1 (0.60) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4026910 0.87 FFAR1 (0.63) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4025975 0.85 FFAR1 (0.58) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4025847 0.85 PPARG (0.57) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4026784 0.84 PPARG (0.56) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4028338 0.84 PPARG (0.59) PPARGPPARAFFAR1KDRPPARD
SCHEMBL4025369 0.83 PPARG (0.56) PPARGPPARAFFAR1KDRPPARD

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