SCHEMBL4747141

SCHEMBL4747141

COC(=O)C1CCCN1Cc1ccc(OCCc2nc(-c3cccs3)oc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.55
PPARA Q07869 6/20 0.55
PPARD Q03181 3/20 0.54
KDM4E B2RXH2 8/20 0.48
LTA4H P09960 2/20 0.48
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL4747139 1.00 PPARG (0.55) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL4744877 0.98 PPARG (0.54) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL4744879 0.98 PPARG (0.54) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL4748466 0.93 PPARA (0.54) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL4743913 0.93 PPARA (0.54) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL4743905 0.93 PPARA (0.54) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL4748385 0.92 PPARG (0.58) PPARGPPARAPPARDKDM4EKMT2A
SCHEMBL4748383 0.92 PPARG (0.58) PPARGPPARAPPARDKDM4EKMT2A
SCHEMBL4744764 0.92 KDM4E (0.53) PPARGPPARAPPARDKDM4ELTA4H
SCHEMBL4744766 0.92 KDM4E (0.53) PPARGPPARAPPARDKDM4ELTA4H

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