SCHEMBL8105308

SCHEMBL8105308

C#CCCc1nc(CCC#C)n(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC6 Q9UBN7 1/20 0.39
KMO O15229 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
DHFR P00374 1/20 0.38
ADRB3 P13945 1/20 0.37
UCHL1 P09936 1/20 0.37
UCHL3 P15374 1/20 0.37
UCHL5 Q9Y5K5 1/20 0.37

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
SCHEMBL8095785 0.88 CA1 (0.39) NPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL8111156 0.84 PPARG (0.47) PPARGNPC1RAB9ASMN1; SMN2DHFR
SCHEMBL8105380 0.84 PPARG (0.62) PPARGNPC1RAB9ASMN1; SMN2DHFR
SCHEMBL8105265 0.82 PPARG (0.55) PPARG
SCHEMBL8111149 0.82 PPARG (0.49) PPARGNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL8095962 0.82 PPARG (0.56) PPARG
SCHEMBL8104965 0.82 PPARG (0.59) PPARG
SCHEMBL8103706 0.82 PPARG (0.47) PPARGNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL8096101 0.82 PPARG (0.54) PPARG
SCHEMBL6006987 0.80 AGTR1 (0.54) PPARG

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