SCHEMBL6530450

SCHEMBL6530450

CCO/N=C(/CC)C(Cc1ccc(OCc2nc(-c3cccc(C)c3)no2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.55
PPARA Q07869 5/20 0.55
FFAR1 O14842 10/20 0.53
TP53 P04637 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PPARD Q03181 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL6529240 0.91 PPARG (0.60) PPARGPPARAFFAR1TP53NPC1
SCHEMBL6530453 0.90 FFAR1 (0.62) PPARGPPARAFFAR1TP53NPC1
SCHEMBL6529517 0.83 FFAR1 (0.57) PPARGPPARAFFAR1TP53NPC1
SCHEMBL6529794 0.82 PPARG (0.59) PPARGPPARAFFAR1
SCHEMBL6528289 0.80 FFAR1 (0.63) PPARGPPARAFFAR1NPC1RAB9A
SCHEMBL6528953 0.80 FFAR1 (0.51) FFAR1TP53NPC1RAB9ACASP3
SCHEMBL6527206 0.72 FFAR1 (0.61) PPARGPPARAFFAR1NPC1RAB9A
SCHEMBL6527202 0.72 FFAR1 (0.61) PPARGPPARAFFAR1NPC1RAB9A
SCHEMBL6530452 0.72 PPARG (0.47) PPARGPPARAFFAR1TP53PPARD
SCHEMBL6504738 0.71 FFAR1 (0.59) PPARGPPARAFFAR1NPC1RAB9A

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 2 patents. 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 claimed
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