SCHEMBL20102958

SCHEMBL20102958

CC(C)C(=O)NC[C@H](N)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
MEN1 O00255 1/20 0.33
NEU3 Q9UQ49 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
DPP4 P27487 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL11652880 0.83 ANPEP (0.37) ANPEPDNPEPCYP2D6CYP2C19KMT2A
SCHEMBL12268658 0.80 GAA (0.40) ANPEPDNPEPKMT2AMEN1DPP4
SCHEMBL10311696 0.80 CYP2D6 (0.39) ANPEPDNPEPCYP2D6CYP2C19KMT2A
SCHEMBL17680117 0.80 CYP2D6 (0.39) ANPEPDNPEPCYP2D6CYP2C19KMT2A
SCHEMBL10311725 0.80 CYP2D6 (0.39) ANPEPDNPEPCYP2D6CYP2C19KMT2A
SCHEMBL10072998 0.80 CYP2D6 (0.39) ANPEPDNPEPCYP2D6CYP2C19KMT2A
SCHEMBL13534167 0.80 CYP2D6 (0.39) ANPEPDNPEPCYP2D6CYP2C19KMT2A
SCHEMBL27678507 0.79 ALDH1A1 (0.39) ANPEPDNPEPCYP2D6CYP2C19KMT2A
SCHEMBL1769047 0.77 GFPT1 (0.49)
SCHEMBL21973387 0.77 ANPEP (0.34) ANPEPDNPEPCYP2D6CYP2C19KMT2A

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
US-20180118790-A1 Synthetic Beta-Amyloid Peptides Capable of Forming Stable Antigenic Oligomers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-03 US disclosed