SCHEMBL4026414

SCHEMBL4026414

CCO[C@@](CC)(Cc1ccc(OCCc2nc(-c3cc4ccccc4s3)oc2C)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.61
PPARG P37231 17/20 0.61
PPARD Q03181 11/20 0.61

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
SCHEMBL4030690 0.93 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL4030508 0.87 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL4034249 0.86 PPARG (0.65) PPARAPPARGPPARD
SCHEMBL4026144 0.85 PPARA (0.82) PPARAPPARGPPARD
SCHEMBL4034280 0.85 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL7909907 0.84 FFAR1 (0.59) PPARAPPARGPPARD
SCHEMBL4201152 0.82 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL4029194 0.81 PPARG (0.56) PPARAPPARGPPARD
SCHEMBL7903472 0.81 PPARG (0.55) PPARAPPARGPPARD
SCHEMBL4036937 0.81 PPARG (0.76) PPARAPPARGPPARD

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