SCHEMBL5133773

SCHEMBL5133773

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MLYCD O95822 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 5/20 0.47
TMEM97 Q5BJF2 4/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC3 O15379 4/20 0.44
HPGD P15428 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 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
SCHEMBL5652340 0.82 NAAA (0.58) NAAAL3MBTL1MLYCDALDH1A1MEN1
SCHEMBL1857574 0.81 NAAA (0.57) NAAAL3MBTL1MLYCDALDH1A1MEN1
SCHEMBL1853750 0.79 NPC1 (0.62) NAAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1853512 0.78 NAAA (0.64) NAAAL3MBTL1MLYCDSIGMAR1TMEM97
SCHEMBL1856912 0.78 TMEM97 (0.60) NAAAL3MBTL1MLYCDSIGMAR1TMEM97
SCHEMBL1859658 0.78 NAAA (0.64) NAAAL3MBTL1MLYCDSIGMAR1TMEM97
SCHEMBL1851125 0.78 NAAA (0.64) NAAAL3MBTL1MLYCDSIGMAR1TMEM97
SCHEMBL1852914 0.77 NAAA (0.56) NAAAL3MBTL1MLYCDSIGMAR1TMEM97
SCHEMBL1857690 0.77 NAAA (0.56) NAAAL3MBTL1MLYCDALDH1A1MEN1
SCHEMBL1852987 0.77 TMEM97 (0.56) NAAAL3MBTL1MLYCDALDH1A1MEN1

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 disclosed