SCHEMBL8111156

SCHEMBL8111156

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
DHFR P00374 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
AGTR1 P30556 4/20 0.36
AGTR2 P50052 4/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL8103612 0.91 PPARG (0.56) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8105359 0.90 PPARG (0.36) PPARGSMN1; SMN2AGTR1AGTR2
SCHEMBL8096137 0.89 PPARG (0.50) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8111121 0.89 PPARG (0.49) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8103597 0.88 PPARG (0.50) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8111214 0.88 PPARG (0.49) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8096033 0.87 PPARG (0.54) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8109434 0.87 PPARG (0.49) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8109125 0.86 PPARG (0.47) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8105541 0.86 PPARG (0.56) 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