SCHEMBL5048860

SCHEMBL5048860

CCCCCCCCNC(=O)c1ccc(-c2ccc(CC([NH])c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
NAAA Q02083 2/20 0.47
PPARG P37231 3/20 0.47
EPHX2 P34913 2/20 0.47
PPARA Q07869 2/20 0.47
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
PPARD Q03181 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC11 Q96DB2 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL5045562 0.92 ALDH1A1 (0.47) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL5044168 0.92 ALDH1A1 (0.47) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL6716858 0.86 MLYCD (0.54) MLYCDL3MBTL1NAAAPPARGPPARA
SCHEMBL5044016 0.86 MRGPRX4 (0.53) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL1856434 0.85 MLYCD (0.50) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL5039932 0.84 MLYCD (0.62) MLYCDL3MBTL1NAAAPPARGEPHX2
SCHEMBL5048870 0.82 MLYCD (0.52) MLYCDL3MBTL1NAAAPPARGPPARA
SCHEMBL28929298 0.82 MLYCD (0.76) MLYCDL3MBTL1NAAAEPHX2MEN1
SCHEMBL6022530 0.81 MLYCD (0.58) MLYCDL3MBTL1NAAAMEN1ALDH1A1
SCHEMBL5044617 0.81 ROCK2 (0.47) MLYCDL3MBTL1NAAAPPARGEPHX2

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 3 patents. 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
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