SCHEMBL5048883

SCHEMBL5048883

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NCOR2 Q9Y618 1/20 0.55
NAAA Q02083 1/20 0.54
SIGMAR1 Q99720 3/20 0.52
TMEM97 Q5BJF2 2/20 0.52
MAPT P10636 2/20 0.51

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
SCHEMBL5044086 0.90 SPHK2 (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1854693 0.88 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1853317 0.88 NAAA (0.66) HDAC3HDAC1HDAC2HDAC6NAAA
SCHEMBL5044217 0.83 KMT2A (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5044268 0.82 NAAA (0.60) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL5047915 0.82 FOLH1 (0.55) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5044213 0.81 NAAA (0.53) HDAC3NPC1RAB9AMEN1KMT2A
SCHEMBL1852503 0.80 SPHK2 (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10289219 0.80 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5040097 0.78 NPC1 (0.68) HDAC3HDAC1HDAC2HDAC6NPC1

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