SCHEMBL6656396

SCHEMBL6656396

CCOC(=O)[C@H](CCc1ccccc1)N(C(=O)OC(C)(C)C)[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
ACE P12821 8/20 0.40
ABCB11 O95342 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6656395 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CTSSCTSKLMNAALDH1A1
SCHEMBL28259387 0.87 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1L3MBTL1POLB
Hydrochloric Acid SCHEMBL5593739 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1L3MBTL1POLB
SCHEMBL8971348 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1L3MBTL1POLB
SCHEMBL8971352 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1L3MBTL1POLB
SCHEMBL10602182 0.84 ACE (0.40) SMN1; SMN2CTSSCTSKLMNAACE
SCHEMBL3836608 0.84 NFKB1 (0.35) CTSSCTSKPOLBMEN1KMT2A
SCHEMBL1994865 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1L3MBTL1POLB
SCHEMBL1994862 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1L3MBTL1POLB
SCHEMBL4990259 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1L3MBTL1POLB

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-1197490-B1 Process for preparing N-[1-(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanine N-carboxyanhydride EVERLIGHT USA INC (US) 2004-07-21 EP disclosed