SCHEMBL5040079

SCHEMBL5040079

CCCCCc1ccc(CNC(=O)c2ccc(-c3ccc(CC([N][O])c4cccc(Oc5ccccc5)c4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 2/20 0.51
EPHX2 P34913 1/20 0.51
MAPK14 Q16539 3/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CYP3A4 P08684 2/20 0.42
ROCK2 O75116 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ROCK1 Q13464 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5048720 0.86 PPARG (0.50) PPARGPPARAEPHX2MAPK14NPC1
SCHEMBL5049271 0.84 EPHX2 (0.46) PPARGPPARAEPHX2MAPK14TRPV1
SCHEMBL5046020 0.79 PPARG (0.53) PPARGPPARAEPHX2MAPK14TRPV1
SCHEMBL1851475 0.78 MAPK14 (0.48) PPARGPPARAEPHX2MAPK14NPC1
SCHEMBL4197091 0.76 TRPV1 (0.66) EPHX2NPC1RAB9ATRPV1HDAC3
SCHEMBL5040010 0.72 FFAR1 (0.47) PPARGPPARAEPHX2MAPK14HPGD
SCHEMBL5044185 0.71 FFAR1 (0.46) PPARGPPARAEPHX2MAPK14HPGD
SCHEMBL5040011 0.71 FFAR1 (0.48) MAPK14HPGDTRPV1HDAC1LMNA
SCHEMBL12338972 0.70 HDAC3 (0.67) PPARGRAB9ATRPV1HDAC3HDAC1
SCHEMBL5044189 0.70 FFAR1 (0.47) MAPK14HPGDTRPV1HDAC1LMNA

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