SCHEMBL5328247

SCHEMBL5328247

O=C(O)C(CCBr)Oc1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.47
PPARA Q07869 16/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
LDHA P00338 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
SCHEMBL4183099 0.83 PPARG (0.46) PPARGPPARASMN1; SMN2LDHA
SCHEMBL27480760 0.79 PPARG (0.46) PPARGPPARASMN1; SMN2
SCHEMBL5274970 0.79 SMN1; SMN2 (0.68) PPARGPPARASMN1; SMN2
SCHEMBL5405854 0.74 SMN1; SMN2 (0.60) PPARGPPARASMN1; SMN2
SCHEMBL21057172 0.71 LDHA (0.58) PPARGPPARALDHA
SCHEMBL21057169 0.71 LDHA (0.58) PPARGPPARALDHA
SCHEMBL21057120 0.70 PPARG (0.63) PPARGPPARASMN1; SMN2LDHA
SCHEMBL21057123 0.70 PPARG (0.63) PPARGPPARASMN1; SMN2LDHA
SCHEMBL4851925 0.70 PPARG (0.63) PPARGPPARASMN1; SMN2
SCHEMBL28551619 0.69 CYP1A2 (0.65) PPARGPPARASMN1; SMN2LDHA

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-2007141423-A1 PPAR ENHANCING DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF NEGMA-LERADS (FR) 2007-12-13 WO disclosed