SCHEMBL5045836

SCHEMBL5045836

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 7/20 0.47
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
MLYCD O95822 1/20 0.45
CA2 P00918 1/20 0.44
ACKR3 P25106 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 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
SCHEMBL5044501 0.88 NAAA (0.55) NAAAL3MBTL1HDAC3TMEM97SIGMAR1
SCHEMBL1853582 0.87 NAAA (0.50) NAAAL3MBTL1HDAC3TMEM97SIGMAR1
SCHEMBL5044217 0.82 KMT2A (0.49) NAAAL3MBTL1HDAC3TMEM97SIGMAR1
SCHEMBL1853317 0.80 NAAA (0.66) NAAAL3MBTL1HDAC3TMEM97SIGMAR1
SCHEMBL5045561 0.76 NAAA (0.60) NAAAL3MBTL1HDAC3TMEM97SIGMAR1
SCHEMBL5048321 0.76 NAAA (0.53) NAAAL3MBTL1TMEM97SIGMAR1HDAC1
SCHEMBL1857744 0.76 NAAA (0.53) NAAAL3MBTL1HDAC3TMEM97SIGMAR1
SCHEMBL5048883 0.74 HDAC3 (0.60) NAAAHDAC3TMEM97SIGMAR1HDAC1
SCHEMBL5044268 0.74 NAAA (0.60) NAAAL3MBTL1HDAC3TMEM97SIGMAR1
SCHEMBL5047915 0.73 FOLH1 (0.55) NAAAL3MBTL1HDAC3TMEM97SIGMAR1

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