SCHEMBL6717461

SCHEMBL6717461

CCCCCCCCCCCCNC(=O)c1ccc(CN(CC)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.56
ESRRG P62508 4/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
LSS P48449 1/20 0.51
NAAA Q02083 2/20 0.50
ESRRB O95718 1/20 0.50
MCHR1 Q99705 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
CNR2 P34972 1/20 0.47
CA2 P00918 1/20 0.46
NAMPT P43490 1/20 0.46
EPHX2 P34913 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
SCHEMBL6718419 0.87 MLYCD (0.60) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL28929298 0.84 MLYCD (0.76) MLYCDTMEM97SIGMAR1L3MBTL1NAAA
SCHEMBL1853153 0.84 TMEM97 (0.53) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1851364 0.84 TMEM97 (0.53) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL13577932 0.83 MLYCD (0.73) MLYCDTMEM97SIGMAR1L3MBTL1NAAA
SCHEMBL1853427 0.82 TMEM97 (0.56) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL5047241 0.82 TMEM97 (0.56) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1852987 0.82 TMEM97 (0.56) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1853826 0.81 MLYCD (0.64) MLYCDTMEM97SIGMAR1L3MBTL1LSS
SCHEMBL1852119 0.81 MLYCD (0.52) MLYCDTMEM97SIGMAR1L3MBTL1LSS

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 disclosed
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 disclosed