SCHEMBL4744050

SCHEMBL4744050

Cc1ccc(-c2nc(COc3ccc(CN4CCCC[C@H]4C(=O)O)cc3)c(C)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.56
PPARA Q07869 5/20 0.56
CD274 Q9NZQ7 2/20 0.55
FFAR1 O14842 1/20 0.51
PDCD1 Q15116 1/20 0.51
TP53 P04637 4/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL4743829 1.00 PPARG (0.56) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4743830 1.00 PPARG (0.56) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4743758 0.97 PPARG (0.57) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4743765 0.97 PPARG (0.57) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4744743 0.97 PPARG (0.57) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4746214 0.94 CD274 (0.63) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4746225 0.94 CD274 (0.63) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4862900 0.92 PPARG (0.57) PPARGPPARACD274
SCHEMBL4744019 0.91 FFAR1 (0.58) PPARGPPARACD274FFAR1PDCD1
SCHEMBL4744024 0.91 FFAR1 (0.58) PPARGPPARACD274FFAR1PDCD1

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