SCHEMBL6531129

SCHEMBL6531129

COC(=O)C(Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1)/C(C)=N/OCc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.57
SMPD1 P17405 1/20 0.51
GSTP1 P09211 7/20 0.49
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6531132 1.00 FFAR1 (0.57) FFAR1SMPD1GSTP1PPARGPPARA
SCHEMBL6527752 0.92 FFAR1 (0.54) FFAR1GSTP1PPARGPPARA
SCHEMBL6528317 0.85 FFAR1 (0.57) FFAR1SMPD1PPARGPPARAMAPT
SCHEMBL6504738 0.85 FFAR1 (0.59) FFAR1GSTP1PPARGPPARA
SCHEMBL6529368 0.83 FFAR1 (0.57) FFAR1GSTP1PPARGPPARA
SCHEMBL6504947 0.83 FFAR1 (0.57) FFAR1GSTP1PPARGPPARA
SCHEMBL6529794 0.79 PPARG (0.59) FFAR1PPARGPPARA
SCHEMBL6527202 0.78 FFAR1 (0.61) FFAR1PPARGPPARAMAPTSMN1; SMN2
SCHEMBL6527206 0.78 FFAR1 (0.61) FFAR1PPARGPPARAMAPTSMN1; SMN2
SCHEMBL6528289 0.75 FFAR1 (0.63) FFAR1PPARGPPARAMAPTSMN1; SMN2

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed