SCHEMBL7018529

SCHEMBL7018529

O=C(O)C(Cc1ccc(OCCCl)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
PPARG P37231 14/20 0.58
PPARD Q03181 11/20 0.58
PPARA Q07869 11/20 0.52
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL2728563 0.85 ITGB3 (0.69) PPARGPPARDPPARAITGB3ITGA2B
SCHEMBL5026508 0.85 ITGB3 (0.69) PPARGPPARDPPARAITGB3ITGA2B
Hydrochloric Acid SCHEMBL6771655 0.84 ITGB3 (0.68) PPARGPPARDPPARAITGB3ITGA2B
SCHEMBL5727671 0.84 CYP1A2 (0.61) PPARGPPARDPPARAITGB3ITGA2B
SCHEMBL6484840 0.84 PPARG (0.65) LDHAPPARGPPARDPPARA
SCHEMBL6379685 0.81 PPARG (0.57) LDHAPPARGPPARDPPARAFFAR1
SCHEMBL4653947 0.81 PPARA (0.72) PPARGPPARDPPARA
SCHEMBL8823250 0.79 ITGB3 (0.42) LDHAPPARGPPARDPPARAITGB3
SCHEMBL7253399 0.79 FFAR1 (0.71) PPARGPPARDPPARAITGB3ITGA2B
SCHEMBL6704879 0.79 PPARG (0.71) LDHAPPARGPPARDPPARA

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 3 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 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