SCHEMBL6721904

SCHEMBL6721904

CCCCCCCCCCCCNC(=O)c1ccc(C(C)[N]Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
NAAA Q02083 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
PPARD Q03181 3/20 0.45
CA2 P00918 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NAMPT P43490 1/20 0.44
EPHX2 P34913 2/20 0.44
HTT P42858 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MCHR1 Q99705 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
SCHEMBL6023358 1.00 MLYCD (0.54) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL5048821 0.87 NAAA (0.61) MLYCDL3MBTL1NAAAALDH1A1SMN1; SMN2
SCHEMBL5039780 0.87 NAAA (0.61) MLYCDL3MBTL1NAAAALDH1A1SMN1; SMN2
SCHEMBL28929298 0.82 MLYCD (0.76) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL5039922 0.82 MLYCD (0.58) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL6022530 0.82 MLYCD (0.58) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL1858482 0.82 MLYCD (0.55) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL1852144 0.82 MLYCD (0.55) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL13577932 0.81 MLYCD (0.73) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL5039932 0.81 MLYCD (0.62) MLYCDL3MBTL1NAAAMEN1ALDH1A1

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed