SCHEMBL4744477

SCHEMBL4744477

COC(=O)[C@@H]1CCCN1Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
PPARG P37231 9/20 0.54
PPARA Q07869 7/20 0.54
LTA4H P09960 2/20 0.52
CD274 Q9NZQ7 1/20 0.50
MAPT P10636 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL4744427 1.00 FFAR1 (0.57) FFAR1PPARGPPARALTA4HCD274
SCHEMBL4744421 1.00 FFAR1 (0.57) FFAR1PPARGPPARALTA4HCD274
SCHEMBL4747915 0.98 FFAR1 (0.55) FFAR1PPARGPPARALTA4HCD274
SCHEMBL4747946 0.98 FFAR1 (0.55) FFAR1PPARGPPARALTA4HCD274
SCHEMBL4747918 0.98 FFAR1 (0.55) FFAR1PPARGPPARALTA4HCD274
SCHEMBL4748583 0.97 FFAR1 (0.56) FFAR1PPARGPPARALTA4HCD274
SCHEMBL4748586 0.97 FFAR1 (0.56) FFAR1PPARGPPARALTA4HCD274
SCHEMBL4747390 0.95 FFAR1 (0.59) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4747388 0.95 FFAR1 (0.59) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4748101 0.93 PPARG (0.53) FFAR1PPARGPPARALTA4HMAPT

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
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed