SCHEMBL4748486

SCHEMBL4748486

COC(=O)C1CCCN1Cc1cccc(OCc2coc(-c3ccccc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
PPARA Q07869 11/20 0.56
CD274 Q9NZQ7 1/20 0.51
PPARG P37231 8/20 0.50
SPHK1 Q9NYA1 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGIR P43119 2/20 0.46
LTA4H P09960 2/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL4743886 0.97 POLB (0.58) POLBPPARACD274PPARGSPHK1
SCHEMBL4744265 0.91 CD274 (0.59) POLBPPARACD274PPARGSPHK1
SCHEMBL4744260 0.91 CD274 (0.59) POLBPPARACD274PPARGSPHK1
SCHEMBL4746563 0.91 FFAR1 (0.55) POLBPPARACD274PPARGSPHK1
SCHEMBL4747119 0.91 PPARA (0.59) POLBPPARACD274PPARGSPHK1
SCHEMBL4745017 0.89 CD274 (0.62) POLBPPARACD274SPHK1MEN1
SCHEMBL4748089 0.88 PPARA (0.58) POLBPPARACD274PPARGMEN1
SCHEMBL4746703 0.87 PPARA (0.56) POLBPPARACD274PPARGSPHK1
SCHEMBL4746708 0.87 PPARA (0.56) POLBPPARACD274PPARGSPHK1
SCHEMBL4747378 0.84 KDR (0.58) POLBPPARACD274PPARGSPHK1

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