SCHEMBL5044174

SCHEMBL5044174

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.50
NAAA Q02083 2/20 0.48
HDAC3 O15379 6/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA2 P00918 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC11 Q96DB2 1/20 0.43
EPHX2 P34913 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PDK1 Q15118 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
SCHEMBL5044173 0.86 MLYCD (0.54) MLYCDL3MBTL1NAAAHDAC3HDAC1
SCHEMBL1853826 0.85 MLYCD (0.64) MLYCDL3MBTL1NAAAHDAC3HDAC1
SCHEMBL1854718 0.84 MLYCD (0.49) MLYCDL3MBTL1NAAAHDAC3MEN1
SCHEMBL1852697 0.83 MLYCD (0.58) MLYCDL3MBTL1NAAAHDAC3HDAC1
SCHEMBL5044057 0.83 EPHX2 (0.55) MLYCDL3MBTL1NAAAHDAC3HDAC1
SCHEMBL5044022 0.80 MRGPRX4 (0.56) MLYCDNAAAHDAC3HDAC1HDAC2
SCHEMBL6718748 0.79 MLYCD (0.58) MLYCDL3MBTL1NAAAHDAC3HDAC1
SCHEMBL6716860 0.79 MLYCD (0.58) MLYCDL3MBTL1NAAAHDAC3HDAC1
SCHEMBL27619607 0.79 NAAA (0.58) MLYCDL3MBTL1NAAAHDAC3HDAC1
SCHEMBL5044262 0.79 L3MBTL1 (0.62) MLYCDL3MBTL1NAAAHDAC3HDAC1

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