SCHEMBL28017850

SCHEMBL28017850

N[C@@H](CCO)C(=O)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.32
▸ GLUL P15104 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GRM8 O00222 1/20 0.32
▸ GRM6 O15303 1/20 0.32
▸ GRM7 Q14831 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ PEPD P12955 1/20 0.31
▸ PGD P52209 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
SCHEMBL1804921 0.83 CA4 (0.42) CA4GLULPEPDPGD
SCHEMBL9802024 0.83 CA4 (0.42) CA4GLULPEPDPGD
SCHEMBL27898509 0.82 CA4 (0.38) CA4GLULCYP2D6CYP2C9CYP2C19
Magnesium SCHEMBL9801770 0.81 CA4 (0.41) CA4PEPDPGD
Calcium SCHEMBL9802006 0.81 CA4 (0.41) CA4PEPDPGD
SCHEMBL641432 0.80 GRM3 (0.52) CYP2D6GRM8GRM6GRM7GRM4
SCHEMBL3659563 0.80 CA4 (0.37) CA4GLULCYP2D6CYP2C9CYP2C19
SCHEMBL8919007 0.80 GSR (0.44) CA4
SCHEMBL641431 0.80 GRM3 (0.52) CYP2D6GRM8GRM6GRM7GRM4
SCHEMBL2351136 0.80 ALOX15 (0.50) CA4GLULCYP2D6CYP2C9CYP2C19

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-110267655-A The treatment method of amino acid composition and muscle disease and illness 胺细拉健康公司 2019-09-20 — — CN disclosed
CN-104685058-A Microorganisms and methods for making 4-hydroxybutyrate, 1, 4-butanediol, and related compounds GENOMATICA INC 2015-06-03 — — CN disclosed
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