SCHEMBL8103612

SCHEMBL8103612

CCCc1nc(C(F)(F)CCC)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 0.40
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
SCHEMBL8096033 0.95 PPARG (0.54) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8096137 0.94 PPARG (0.50) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8105541 0.94 PPARG (0.56) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8111121 0.94 PPARG (0.49) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8103597 0.93 PPARG (0.50) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8111214 0.93 PPARG (0.49) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8109434 0.92 PPARG (0.49) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8109299 0.91 PPARG (0.57) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8109125 0.91 PPARG (0.47) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8111156 0.91 PPARG (0.47) 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 6 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
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed