SCHEMBL4424229

SCHEMBL4424229

CCc1[c]cc(CC)c(C(O)(C(F)(F)F)C(F)(F)F)c1CC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MLYCD O95822 1/20 0.30

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
SCHEMBL293695 0.70
SCHEMBL10457412 0.70
SCHEMBL4882344 0.69 NR1H2 (0.35) NR1H2NR1H3
SCHEMBL10457411 0.66 GABRA1 (0.37)
SCHEMBL10457400 0.66
SCHEMBL28507381 0.66 SMN1; SMN2 (0.44) NR1H2NR1H3MLYCD
SCHEMBL2140668 0.61
SCHEMBL28523241 0.60 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL455408 0.60 ESR1 (0.32)
SCHEMBL2289393 0.59 GABRA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4267920-B2 2009-05-27 JP claimed
JP-2004523542-A 2004-08-05 JP claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 WO claimed