SCHEMBL5044501

SCHEMBL5044501

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)c2ccccc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 5/20 0.50
SIGMAR1 Q99720 3/20 0.50
TMEM97 Q5BJF2 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MLYCD O95822 1/20 0.47
CA2 P00918 1/20 0.46

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
SCHEMBL5045836 0.88 NAAA (0.52) NAAAL3MBTL1HDAC3SIGMAR1TMEM97
SCHEMBL1857744 0.86 NAAA (0.53) NAAAL3MBTL1HDAC3SIGMAR1TMEM97
SCHEMBL5048321 0.85 NAAA (0.53) NAAAL3MBTL1SIGMAR1TMEM97NPC1
SCHEMBL1853317 0.82 NAAA (0.66) NAAAL3MBTL1HDAC3SIGMAR1TMEM97
SCHEMBL1853858 0.79 NAAA (0.52) NAAAL3MBTL1HDAC3SIGMAR1TMEM97
SCHEMBL5040097 0.79 NPC1 (0.68) NAAAL3MBTL1HDAC3SIGMAR1THRA
SCHEMBL27601082 0.78 ACHE (0.61) NAAAHDAC3HDAC1
SCHEMBL5048883 0.77 HDAC3 (0.60) NAAAHDAC3SIGMAR1TMEM97NPC1
SCHEMBL5044268 0.76 NAAA (0.60) NAAAL3MBTL1HDAC3SIGMAR1TMEM97
SCHEMBL1858193 0.76 HDAC3 (0.54) NAAAL3MBTL1HDAC3NPC1RAB9A

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