SCHEMBL4032032

SCHEMBL4032032

CCC(C)OOC(=O)CCc1ccc(OCc2nc(-c3sccc3C)oc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
PPARA Q07869 11/20 0.45
PPARG P37231 10/20 0.45
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL4032530 0.93 PPARG (0.52) FFAR1PPARAPPARG
SCHEMBL4035508 0.88 FFAR1 (0.52) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL4032676 0.86 PPARA (0.61) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL4028746 0.85 PPARA (0.61) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4029556 0.84 PPARG (0.55) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4025597 0.83 FFAR1 (0.59) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4028592 0.83 FFAR1 (0.52) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4034971 0.82 FFAR1 (0.49) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4032694 0.82 FFAR1 (0.49) FFAR1PPARAPPARGMAPTPOLB
SCHEMBL4027732 0.82 FFAR1 (0.55) FFAR1PPARAPPARGMAPTPOLB

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