SCHEMBL2227602

SCHEMBL2227602

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
PDE4A P27815 1/20 0.42
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL10416670 0.86 LMNA (0.46) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL4587134 0.85 USP2 (0.39) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL9641502 0.85 USP2 (0.37) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL1524925 0.85 USP2 (0.37) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL4861016 0.85 LMNA (0.37) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL8852282 0.85 USP2 (0.41) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL4726851 0.80 USP2 (0.39) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL8356023 0.79 USP2 (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL7025484 0.79 USP2 (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL28449969 0.79 USP2 (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60184399-A None JP disclosed
WO-2011090948-A1 EVALUATING HEPARIN PREPARATIONS MOMENTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
JP-S60184399-A METHOD OF ENZYMATIC DETERMINATION OF N-ACETYLNEURAMINIC ACID TOYOBO CO LTD 1985-09-19 JP disclosed