SCHEMBL4748583

SCHEMBL4748583

COC(=O)[C@H]1CCCCN1Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
PPARG P37231 10/20 0.53
PPARA Q07869 8/20 0.53
CD274 Q9NZQ7 2/20 0.53
PDCD1 Q15116 1/20 0.49
LTA4H P09960 2/20 0.49
MAPT P10636 1/20 0.49
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 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
SCHEMBL4748586 1.00 FFAR1 (0.56) FFAR1PPARGPPARACD274PDCD1
SCHEMBL4744421 0.97 FFAR1 (0.57) FFAR1PPARGPPARACD274LTA4H
SCHEMBL4744477 0.97 FFAR1 (0.57) FFAR1PPARGPPARACD274LTA4H
SCHEMBL4744427 0.97 FFAR1 (0.57) FFAR1PPARGPPARACD274LTA4H
SCHEMBL4747918 0.96 FFAR1 (0.55) FFAR1PPARGPPARACD274LTA4H
SCHEMBL4747915 0.96 FFAR1 (0.55) FFAR1PPARGPPARACD274LTA4H
SCHEMBL4747946 0.96 FFAR1 (0.55) FFAR1PPARGPPARACD274LTA4H
SCHEMBL4747388 0.94 FFAR1 (0.59) FFAR1PPARGPPARAMAPT
SCHEMBL4747390 0.94 FFAR1 (0.59) FFAR1PPARGPPARAMAPT
SCHEMBL4743787 0.92 PPARG (0.61) PPARGPPARA

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