SCHEMBL8109215

SCHEMBL8109215

CC(C)Oc1nc(OC(C)C)n(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
PPARG P37231 1/20 0.46
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
DHFR P00374 1/20 0.40
ALOX5AP P20292 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMO O15229 1/20 0.40
MGLL Q99685 1/20 0.39
LIFR P42702 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL8096048 0.88 IDO1 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL8105171 0.82 PPARG (0.48) RXRARXRBPPARGNPC1RAB9A
SCHEMBL6004353 0.81 AGTR1 (0.54)
SCHEMBL8103519 0.80 PPARG (0.49) RXRARXRBPPARGNPC1RAB9A
SCHEMBL8105267 0.80 PPARG (0.48) PPARGLMNAGAADHFRNR1H4
SCHEMBL8096036 0.74 AGTR1 (0.48) PPARGPDE7APDE7BNPC1RAB9A
SCHEMBL8104958 0.73 PPARG (0.48) PPARGPDE7APDE7BNPC1RAB9A
SCHEMBL8111149 0.72 PPARG (0.49) PPARGPDE7APDE7BNPC1RAB9A
SCHEMBL8103500 0.72 PPARG (0.46) RXRARXRBPPARGPDE7APDE7B
SCHEMBL8109371 0.71 PPARG (0.48) RXRARXRBPPARGPDE7APDE7B

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