SCHEMBL4028630

SCHEMBL4028630

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCCNOCCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.57
PPARA Q07869 15/20 0.57
FFAR1 O14842 1/20 0.55
PPARD Q03181 5/20 0.55

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
SCHEMBL4026294 0.88 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL4208383 0.85 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4032153 0.84 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL12617845 0.80 PPARG (0.68) PPARGPPARAFFAR1PPARD
SCHEMBL7906850 0.79 PPARG (0.69) PPARGPPARAFFAR1PPARD
SCHEMBL7897351 0.78 FFAR1 (0.83) PPARGPPARAFFAR1PPARD
SCHEMBL5112238 0.78 PPARG (0.76) PPARGPPARAFFAR1PPARD
SCHEMBL4027567 0.78 FFAR1 (0.63) PPARGPPARAFFAR1PPARD
SCHEMBL8304446 0.77 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL7903445 0.77 PPARG (0.71) 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