SCHEMBL5044857

SCHEMBL5044857

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CNCc3ccc(Oc4ccccc4)cc3)c(Br)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.51
HPGD P15428 3/20 0.48
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL5044189 0.94 FFAR1 (0.47) MAPK14HPGDLMNASMN1; SMN2HTT
SCHEMBL5044851 0.89 MAPK14 (0.49) MAPK14HPGDPPARGPPARAEPHX2
SCHEMBL1859045 0.87 STAT3 (0.46) MAPK14HPGDPPARGPPARAEPHX2
SCHEMBL5047479 0.87 MAPK14 (0.47) MAPK14HPGDPPARGPPARAEPHX2
SCHEMBL5044898 0.85 EPHX2 (0.51) HPGDPPARGPPARAEPHX2SMN1; SMN2
SCHEMBL5044185 0.84 FFAR1 (0.46) MAPK14HPGDPPARGPPARAEPHX2
SCHEMBL6023308 0.83 MAPK14 (0.51) MAPK14HPGDPPARGPPARAEPHX2
SCHEMBL5040011 0.83 FFAR1 (0.48) MAPK14HPGDLMNASMN1; SMN2HTT
SCHEMBL1855452 0.83 PTGES (0.42) MAPK14HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL6022102 0.82 LSS (0.47) MAPK14PPARGPPARAEPHX2TRPV1

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