SCHEMBL5044933

SCHEMBL5044933

CCCCCc1ccc(CNC(=O)c2ccc(CN(O)Cc3cccc(Oc4ccccc4)c3)c(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 3/20 0.45
MAPK14 Q16539 3/20 0.44
FFAR1 O14842 2/20 0.44
MMP13 P45452 2/20 0.43
CETP P11597 1/20 0.43
STAT3 P40763 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMPD1 P17405 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
SCHEMBL1853566 0.90 LMNA (0.44) LMNAALDH1A1TRPV1L3MBTL1HPGD
SCHEMBL5040011 0.87 FFAR1 (0.48) LMNAALDH1A1TRPV1L3MBTL1HPGD
SCHEMBL5040010 0.86 FFAR1 (0.47) LMNAALDH1A1TRPV1L3MBTL1HPGD
SCHEMBL5048866 0.85 NPC1 (0.48) SMN1; SMN2
SCHEMBL1854547 0.84 MAPK14 (0.47) LMNAALDH1A1TRPV1L3MBTL1HPGD
SCHEMBL5047479 0.84 MAPK14 (0.47) LMNAALDH1A1TRPV1L3MBTL1HPGD
SCHEMBL5047697 0.83 NAAA (0.46) HPGDMAPK14STAT3SMN1; SMN2
SCHEMBL5044865 0.83 TRPV1 (0.47) LMNAALDH1A1TRPV1L3MBTL1HPGD
SCHEMBL5047842 0.82 TRPV1 (0.46) LMNAALDH1A1TRPV1L3MBTL1HPGD
SCHEMBL1855452 0.82 PTGES (0.42) LMNAALDH1A1TRPV1L3MBTL1HPGD

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