SCHEMBL4744764

SCHEMBL4744764

COC(=O)[C@@H]1CCCN1Cc1cccc(OCCc2nc(-c3cccs3)oc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 3/20 0.53
PPARG P37231 11/20 0.48
PPARA Q07869 11/20 0.48
PPARD Q03181 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL4744766 1.00 KDM4E (0.53) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4743889 0.93 KDM4E (0.54) KDM4EKMT2APPARGPPARAALDH1A1
SCHEMBL4748561 0.93 KDM4E (0.54) KDM4EKMT2APPARGPPARAALDH1A1
SCHEMBL4743885 0.93 KDM4E (0.54) KDM4EKMT2APPARGPPARAALDH1A1
SCHEMBL4746680 0.92 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4747769 0.92 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4747139 0.92 PPARG (0.55) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4747141 0.92 PPARG (0.55) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4746216 0.91 POLB (0.57) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4747542 0.91 KDM4E (0.53) KDM4EKMT2APPARGPPARAALDH1A1

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