SCHEMBL28467147

SCHEMBL28467147

COCC[C@@H](CCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
ATM Q13315 1/20 0.39
CTSK P43235 9/20 0.39
CTSS P25774 6/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G2C Q5R387 1/20 0.37
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
FOLH1 Q04609 1/20 0.36

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
SCHEMBL28467148 1.00 CA1 (0.40) CA1CA2CA7ATMCTSK
SCHEMBL5691699 0.91 CA1 (0.46) CA1CA2CA7ATMCTSK
SCHEMBL21026734 0.89 PLA2G2C (0.43) CA1CA2CA7ATMCTSK
SCHEMBL19544923 0.86 TSHR (0.42) CA1CA2CA7ATMCTSK
SCHEMBL19337973 0.85 CTSK (0.40) CA1CA2CA7ATMCTSK
SCHEMBL20738188 0.84 CA1 (0.41) CA1CA2CA7ATMCTSK
SCHEMBL25319084 0.84 CA1 (0.41) CA1CA2CA7ATMCTSK
SCHEMBL25319090 0.84 CA1 (0.41) CA1CA2CA7ATMCTSK
SCHEMBL25320179 0.84 APLNR (0.44) CA1CA2CA7ATMCTSK
SCHEMBL25320182 0.84 APLNR (0.44) CA1CA2CA7ATMCTSK

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
CN-111635335-B Synthesis method of chiral gamma-amino acid and chiral gamma-amino acid synthesized by adopting method 上海交通大学 2021-07-13 CN disclosed
CN-111635335-A Synthesis method of chiral gamma-amino acid and chiral gamma-amino acid synthesized by adopting method 上海交通大学 2020-09-08 CN disclosed