SCHEMBL21834858

SCHEMBL21834858

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CTSK P43235 9/20 0.46
CTSS P25774 6/20 0.46
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CAPN1 P07384 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
SCHEMBL4293013 0.84 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL1176007 0.84 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL1176010 0.84 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL90052 0.83 CA2 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL14943208 0.83 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL83699 0.83 CA2 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL6651443 0.83 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL57432 0.83 CA2 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL8410837 0.82 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL1213869 0.82 CA2 (0.46) CA1CA2CA7CTSKCTSS

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
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 WO disclosed