SCHEMBL13601307

SCHEMBL13601307

CCCc1cc(C(C)(OCOC)C(F)(F)F)ccc1Oc1ccc(C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
NR1H2 P55055 12/20 0.36
NR1H3 Q13133 7/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
TTR P02766 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL1091996 0.89 NR1H2 (0.38) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL13601353 0.81 NR1H2 (0.35) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL1092208 0.78 NR1H2 (0.37) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL13601501 0.78 NR1H2 (0.42) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL1092344 0.78 NR1H2 (0.38) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL1092371 0.76 PPARG (0.33) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL1253786 0.75 SLC6A4 (0.48) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL1253782 0.74 NR1H2 (0.38) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL1253784 0.74 NR1H2 (0.38) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL13706681 0.74 PPARG (0.44) PPARDPPARAPPARGNR1H2NR1H3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144961-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER 興和株式会社 (JP) 2009-12-03 WO disclosed