SCHEMBL8109337

SCHEMBL8109337

CCCC(F)(F)c1nc(CC(C)C)n(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
ALOX5AP P20292 2/20 0.42
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
DHFR P00374 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
LTC4S Q16873 1/20 0.37
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL8111214 0.92 PPARG (0.49) PPARGAGTR1AGTR2ALOX5APPDE7A
SCHEMBL8103597 0.91 PPARG (0.50) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8103612 0.90 PPARG (0.56) PPARGAGTR1AGTR2DHFRNPC1
SCHEMBL8105392 0.89 AGTR1 (0.40) PPARGAGTR1AGTR2ALOX5APSMN1; SMN2
SCHEMBL8096137 0.88 PPARG (0.50) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8111121 0.87 PPARG (0.49) PPARGAGTR1AGTR2LTB4R2
SCHEMBL9532978 0.86 PPARG (0.46) PPARGALOX5APPDE7APDE7BDHFR
SCHEMBL8103581 0.86 PPARG (0.46) PPARGALOX5APDHFRNPC1RAB9A
SCHEMBL8109452 0.86 PPARG (0.48) PPARGAGTR1AGTR2PDE7APDE7B
SCHEMBL8109451 0.86 PPARG (0.48) PPARGAGTR1AGTR2PDE7APDE7B

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