SCHEMBL4587134

SCHEMBL4587134

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
PDE4A P27815 1/20 0.37
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2227602 0.85 USP2 (0.44) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL27825292 0.80 USP2 (0.38) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL27655243 0.80 USP2 (0.38) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL8852282 0.79 USP2 (0.41) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL17766477 0.75 CES1 (0.42) USP2SLCO1B1
SCHEMBL17076565 0.75 USP2 (0.34) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL6247036 0.74 USP2 (0.39) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL7025484 0.74 USP2 (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL8356023 0.74 USP2 (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL28449969 0.74 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
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 EP disclosed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 EP disclosed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 WO disclosed