SCHEMBL5044446

SCHEMBL5044446

CCCCc1oc2ccccc2c1CNC(=O)c1ccc(CC([NH])c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
EPHX2 P34913 4/20 0.45
PPARA Q07869 4/20 0.45
PTPN1 P18031 9/20 0.41
MAPK14 Q16539 1/20 0.41
EYA3 Q99504 1/20 0.40
LSS P48449 1/20 0.40
MTTP P55157 2/20 0.39
PPARD Q03181 3/20 0.39

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
SCHEMBL5044450 0.87 MAPK14 (0.47) PPARGEPHX2PPARAPTPN1MAPK14
SCHEMBL1851704 0.82 LSS (0.46) PPARGEPHX2PPARAPTPN1MAPK14
SCHEMBL1854032 0.81 LSS (0.41) PPARGEPHX2PPARAPTPN1MAPK14
SCHEMBL1855758 0.80 LSS (0.44) PPARGEPHX2PTPN1MAPK14EYA3
SCHEMBL6022117 0.77 PTPN1 (0.51) PTPN1EYA3
SCHEMBL5048860 0.73 MLYCD (0.53) PPARGEPHX2PPARAPPARD
SCHEMBL1860426 0.72 HDAC3 (0.50) PTPN1EYA3
SCHEMBL6022101 0.71 PPARG (0.46) PPARGEPHX2PPARAMAPK14LSS
SCHEMBL6716858 0.70 MLYCD (0.54) PPARGPPARAPPARD
SCHEMBL5045562 0.68 ALDH1A1 (0.47) PPARGEPHX2PPARAPPARD

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed