SCHEMBL4031222

SCHEMBL4031222

CCNCCC(OCC)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
PPARA Q07869 13/20 0.49
PPARG P37231 12/20 0.49
KDR P35968 1/20 0.47
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL4033080 0.90 PPARG (0.50) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4026013 0.89 FFAR1 (0.54) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4026911 0.88 FFAR1 (0.56) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4028565 0.87 FFAR1 (0.53) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4027562 0.87 FFAR1 (0.53) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4027603 0.87 FFAR1 (0.49) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4025467 0.87 PPARG (0.54) FFAR1PPARAPPARGMAPTTP53
SCHEMBL4028469 0.86 FFAR1 (0.53) FFAR1PPARAPPARGMAPTTP53
SCHEMBL4030774 0.86 FFAR1 (0.52) FFAR1PPARAPPARGKDR
SCHEMBL4025977 0.85 PPARA (0.52) FFAR1PPARAPPARGKDRMAPT

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