SCHEMBL5044189

SCHEMBL5044189

CCCCCc1ccc(CNC(=O)c2cc(Br)c(CNCc3cccc(Oc4ccccc4)c3)c(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 2/20 0.46
HPGD P15428 4/20 0.45
LMNA P02545 3/20 0.45
MMP13 P45452 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
CETP P11597 1/20 0.44
HDAC1 Q13547 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5044857 0.94 MAPK14 (0.51) ALDH1A1SMN1; SMN2HTTMAPK14HPGD
SCHEMBL5040011 0.89 FFAR1 (0.48) FFAR1ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL5044185 0.88 FFAR1 (0.46) FFAR1ALDH1A1SMN1; SMN2MAPK14HPGD
SCHEMBL6023308 0.88 MAPK14 (0.51) MAPK14HPGDLMNATRPV1HDAC1
SCHEMBL1855452 0.87 PTGES (0.42) FFAR1ALDH1A1SMN1; SMN2MAPK14HPGD
SCHEMBL5044851 0.83 MAPK14 (0.49) ALDH1A1SMN1; SMN2HTTMAPK14HPGD
SCHEMBL1859045 0.82 STAT3 (0.46) ALDH1A1SMN1; SMN2HTTMAPK14HPGD
SCHEMBL5047479 0.82 MAPK14 (0.47) ALDH1A1SMN1; SMN2HTTMAPK14HPGD
SCHEMBL5040010 0.81 FFAR1 (0.47) FFAR1ALDH1A1MAPK14HPGDLMNA
SCHEMBL1853566 0.81 LMNA (0.44) FFAR1ALDH1A1SMN1; SMN2HTTMAPK14

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