SCHEMBL4032676

SCHEMBL4032676

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3cccs3)oc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.61
PPARG P37231 11/20 0.53
FFAR1 O14842 2/20 0.52
PPARD Q03181 3/20 0.49
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4034277 0.93 PPARG (0.62) PPARAPPARGPPARD
SCHEMBL4201144 0.92 PPARG (0.58) PPARAPPARGFFAR1PPARDMAPT
SCHEMBL4029556 0.88 PPARG (0.55) PPARAPPARGFFAR1MAPTPOLB
SCHEMBL4025236 0.88 PPARA (0.64) PPARAPPARGFFAR1PPARDMAPT
SCHEMBL4032032 0.86 FFAR1 (0.49) PPARAPPARGFFAR1MAPTALDH1A1
SCHEMBL4032708 0.86 PPARG (0.63) PPARAPPARGFFAR1PPARD
SCHEMBL4032694 0.86 FFAR1 (0.49) PPARAPPARGFFAR1MAPTPOLB
SCHEMBL4034971 0.86 FFAR1 (0.49) PPARAPPARGFFAR1MAPTPOLB
SCHEMBL4025597 0.85 FFAR1 (0.59) PPARAPPARGFFAR1MAPTPOLB
SCHEMBL4028746 0.85 PPARA (0.61) PPARAPPARGFFAR1PPARDMAPT

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