SCHEMBL6528955

SCHEMBL6528955

CCON=C(C)C(C)(Cc1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.58
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
PSMB5 P28074 1/20 0.47
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
NCOA3 Q9Y6Q9 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
SCHEMBL6527924 0.92 FFAR1 (0.54) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL6528953 0.90 FFAR1 (0.51) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL6528289 0.81 FFAR1 (0.63) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL6530453 0.78 FFAR1 (0.62) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL19131309 0.75 NPC1 (0.74) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL6529517 0.75 FFAR1 (0.57) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL6529240 0.71 PPARG (0.60) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL6504738 0.71 FFAR1 (0.59) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL6530450 0.69 PPARG (0.55) FFAR1NPC1CASP3RAB9ASENP8
SCHEMBL5829312 0.68 PPARA (0.58) FFAR1NPC1CASP3RAB9ASENP8

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