SCHEMBL4748101

SCHEMBL4748101

COC(=O)[C@H]1CCCN1Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
POLB P06746 2/20 0.51
MAPT P10636 6/20 0.49
TP53 P04637 4/20 0.49
KMT2A Q03164 1/20 0.48
FFAR1 O14842 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL4748103 1.00 PPARG (0.53) PPARGPPARAPOLBMAPTTP53
SCHEMBL4746707 0.95 PPARG (0.55) PPARGPPARAPOLBMAPTTP53
SCHEMBL4746709 0.95 PPARG (0.55) PPARGPPARAPOLBMAPTTP53
SCHEMBL4747915 0.93 FFAR1 (0.55) PPARGPPARAMAPTKMT2AFFAR1
SCHEMBL4747946 0.93 FFAR1 (0.55) PPARGPPARAMAPTKMT2AFFAR1
SCHEMBL4747918 0.93 FFAR1 (0.55) PPARGPPARAMAPTKMT2AFFAR1
SCHEMBL4744477 0.93 FFAR1 (0.57) PPARGPPARAMAPTFFAR1LTA4H
SCHEMBL4744427 0.93 FFAR1 (0.57) PPARGPPARAMAPTFFAR1LTA4H
SCHEMBL4744421 0.93 FFAR1 (0.57) PPARGPPARAMAPTFFAR1LTA4H
SCHEMBL4743765 0.91 PPARG (0.57) PPARGPPARAPOLBMAPTTP53

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