SCHEMBL4030685

SCHEMBL4030685

CCC(COC(C)c1ccc(OCc2nc(-c3cc4ccccc4s3)oc2C)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.51
PPARG P37231 14/20 0.51
FFAR1 O14842 1/20 0.41
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4026410 0.93 PPARG (0.59) PPARAPPARG
SCHEMBL4027331 0.86 FFAR1 (0.49) PPARAPPARGFFAR1MAPTPOLB
SCHEMBL4032167 0.84 PPARA (0.47) PPARAPPARGFFAR1POLB
SCHEMBL4027343 0.81 FFAR1 (0.54) PPARAPPARGFFAR1
SCHEMBL4027348 0.79 PPARA (0.76) PPARAPPARGFFAR1
SCHEMBL4029192 0.79 PPARG (0.56) PPARAPPARG
SCHEMBL4032170 0.79 PPARA (0.50) PPARAPPARGFFAR1
SCHEMBL4034329 0.77 PPARG (0.54) PPARAPPARG
SCHEMBL4032173 0.76 PPARG (0.66) PPARAPPARGFFAR1
SCHEMBL4030690 0.74 PPARA (0.53) PPARAPPARGFFAR1

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