SCHEMBL6452002

SCHEMBL6452002

CNC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.81
PPARA Q07869 14/20 0.53
SIGMAR1 Q99720 1/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5913969 0.94 PPARG (0.89) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL6450149 0.92 PPARG (0.85) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL5913369 0.91 PPARG (0.95) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL5913603 0.90 PPARG (1.00) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL29496192 0.90 PPARG (1.00) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL7021537 0.90 PPARG (0.81) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL6477885 0.88 PPARG (0.78) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL5727831 0.87 PPARG (0.76) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL6485289 0.87 PPARG (0.79) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL5913680 0.87 PPARG (0.79) PPARGPPARASIGMAR1NPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP claimed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP claimed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO claimed
EP-1560598-A1 ASSOCIATION BETWEEN A HETEROCYCLIC COMPOUND STIMULATING LIPID AND CARBOHYDRATE METABOLISMS AND AN ANTIOXIDANT AGENT FOR TREATING OBESITY Les Laboratoires Servier (FR) 2005-08-10 EP disclosed
WO-2004032968-A1 ASSOCIATION BETWEEN A HETEROCYCLIC COMPOUND STIMULATING LIPID AND CARBOHYDRATE METABOLISMS AND AN ANTIOXIDANT AGENT FOR TREATING OBESITY LES LABORATOIRES SERVIER (FR) 2004-04-22 WO disclosed
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP disclosed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP disclosed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO disclosed