SCHEMBL4748466

SCHEMBL4748466

COC(=O)[C@@H]1CCCN1Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.54
KDM4E B2RXH2 10/20 0.49
PPARG P37231 5/20 0.46
PPARD Q03181 3/20 0.45
KMT2A Q03164 3/20 0.45
LTA4H P09960 2/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 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
SCHEMBL4743913 1.00 PPARA (0.54) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4743905 1.00 PPARA (0.54) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4748463 0.98 PPARA (0.53) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4748465 0.98 PPARA (0.53) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4747139 0.93 PPARG (0.55) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4747141 0.93 PPARG (0.55) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4743654 0.92 PPARA (0.57) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4744650 0.92 PPARA (0.57) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4743660 0.92 PPARA (0.57) PPARAKDM4EPPARGPPARDKMT2A
SCHEMBL4743889 0.91 KDM4E (0.54) PPARAKDM4EPPARGKMT2AALDH1A1

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