SCHEMBL8109220

SCHEMBL8109220

C=CCCc1nc(C(F)(F)CCC)nn1Cc1ccc(Cc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
YTHDC1 Q96MU7 1/20 0.33

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
SCHEMBL8109183 0.91 PPARG (0.43) PPARGMRGPRX4CA1CA2CA9
SCHEMBL8109125 0.90 PPARG (0.47) PPARGSMN1; SMN2AGTR1AGTR2
SCHEMBL8103395 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8109330 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8105326 0.88 CA1 (0.38) PPARGMRGPRX4CA1CA2CA9
SCHEMBL8109295 0.88 PPARG (0.37) PPARGMRGPRX4CA1CA2CA9
SCHEMBL8109243 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8105359 0.86 PPARG (0.36) PPARGMRGPRX4CA1CA2CA9
SCHEMBL8105596 0.86 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8111032 0.86 PPARG (0.43) PPARGMRGPRX4CA1CA2CA9

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