SCHEMBL5044450

SCHEMBL5044450

CCCCc1oc2ccccc2c1CNC(=O)c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
LSS P48449 1/20 0.47
PTPN1 P18031 4/20 0.45
EPHX2 P34913 2/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45
EYA3 Q99504 1/20 0.44
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
SIRT3 Q9NTG7 2/20 0.43
MAOA P21397 1/20 0.42
NAMPT P43490 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1851704 0.89 LSS (0.46) MAPK14LSSPTPN1EPHX2PPARG
SCHEMBL5044446 0.87 PPARG (0.45) MAPK14LSSPTPN1EPHX2PPARG
SCHEMBL1855758 0.86 LSS (0.44) MAPK14LSSPTPN1EPHX2PPARG
SCHEMBL1860426 0.85 HDAC3 (0.50) PTPN1EYA3HDAC3HDAC1HDAC2
SCHEMBL6022117 0.82 PTPN1 (0.51) PTPN1EYA3HDAC3HDAC1HDAC2
SCHEMBL1854032 0.82 LSS (0.41) MAPK14LSSPTPN1EPHX2PPARG
SCHEMBL1853826 0.73 MLYCD (0.64) LSSEPHX2PPARGPPARAHDAC3
SCHEMBL5040035 0.72 TMEM97 (0.48) PTPN1EYA3HDAC3HDAC1HDAC2
SCHEMBL1856867 0.71 TMEM97 (0.50) PTPN1EYA3HDAC3HDAC1HDAC2
SCHEMBL6022102 0.71 LSS (0.47) MAPK14LSSEPHX2PPARGPPARA

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