SCHEMBL4028746

SCHEMBL4028746

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3ccsc3)oc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.61
PPARG P37231 12/20 0.61
FFAR1 O14842 1/20 0.54
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
VDR P11473 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL4031954 0.93 PPARG (0.62) PPARAPPARGFFAR1PPARD
SCHEMBL4025597 0.89 FFAR1 (0.59) PPARAPPARGFFAR1POLBMAPT
SCHEMBL4029635 0.88 PPARA (0.64) PPARAPPARGFFAR1MAPTVDR
SCHEMBL4032676 0.85 PPARA (0.61) PPARAPPARGFFAR1POLBMAPT
SCHEMBL4032032 0.85 FFAR1 (0.49) PPARAPPARGFFAR1POLBMAPT
SCHEMBL4029556 0.84 PPARG (0.55) PPARAPPARGFFAR1POLBMAPT
SCHEMBL4032217 0.84 FFAR1 (0.58) PPARAPPARGFFAR1POLBVDR
SCHEMBL4028592 0.83 FFAR1 (0.52) PPARAPPARGFFAR1POLBMAPT
SCHEMBL4032708 0.83 PPARG (0.63) PPARAPPARGFFAR1PPARD
SCHEMBL4034971 0.82 FFAR1 (0.49) PPARAPPARGFFAR1POLBMAPT

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