SCHEMBL4746708

SCHEMBL4746708

Cc1ccc(-c2nc(COc3cccc(CN4CCCC4C(=O)O)c3)co2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.56
PPARG P37231 5/20 0.56
CD274 Q9NZQ7 7/20 0.55
POLB P06746 1/20 0.52
SPHK1 Q9NYA1 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDCD1 Q15116 2/20 0.44
PTGIR P43119 2/20 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
SCHEMBL4746703 1.00 PPARA (0.56) PPARAPPARGCD274POLBSPHK1
SCHEMBL4787471 0.97 CD274 (0.59) PPARAPPARGCD274POLBSPHK1
SCHEMBL4744260 0.93 CD274 (0.59) PPARAPPARGCD274POLBSPHK1
SCHEMBL4744265 0.93 CD274 (0.59) PPARAPPARGCD274POLBSPHK1
SCHEMBL4746750 0.92 CD274 (0.50) PPARAPPARGCD274POLBSPHK1
SCHEMBL4746755 0.92 CD274 (0.50) PPARAPPARGCD274POLBSPHK1
SCHEMBL4745017 0.91 CD274 (0.62) PPARACD274POLBSPHK1MEN1
SCHEMBL4814177 0.90 CD274 (0.51) PPARAPPARGCD274SPHK1PDCD1
SCHEMBL4744018 0.90 CD274 (0.51) PPARAPPARGCD274SPHK1PDCD1
SCHEMBL4743964 0.90 PPARA (0.57) PPARAPPARGCD274POLBSPHK1

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 2 patents. 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 claimed
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