SCHEMBL8105541

SCHEMBL8105541

CCCc1nc(C(F)(F)CC)nn1Cc1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.56
DHFR P00374 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL8109174 0.94 PPARG (0.50) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8103612 0.94 PPARG (0.56) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8096033 0.92 PPARG (0.54) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8109299 0.91 PPARG (0.57) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8096137 0.89 PPARG (0.50) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8111032 0.89 PPARG (0.43) PPARGNPC1RAB9ASMN1; SMN2AGTR1
SCHEMBL8111121 0.88 PPARG (0.49) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8109434 0.88 PPARG (0.49) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8103597 0.87 PPARG (0.50) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8111214 0.87 PPARG (0.49) PPARGDHFRNPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3098772-B2 2000-10-16 JP claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP claimed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO claimed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed