SCHEMBL8845127

SCHEMBL8845127

NCC(=O)OC(O)C(O)CO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
PDE4A P27815 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9138710 0.84 TDP1 (0.46) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL1287880 0.84 TDP1 (0.46) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL16245478 0.77 USP2 (0.31) USP2SLCO1B1
SCHEMBL11198258 0.75 USP2 (0.42) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL8998222 0.73 MAPT (0.47)
SCHEMBL11209539 0.72 USP2 (0.48) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL1899601 0.72
SCHEMBL1443564 0.71 TSHR (0.42) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL11210063 0.71 LMNA (0.47) USP2SLCO1B1PDE4ALMNAL3MBTL1
SCHEMBL11212164 0.71 LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658954-A NONTOXIC TO HUMAN, ANIMALS; MIXTURE OF COTTONSEED OIL AMIDE, COCONUT OIL AMIDE, TALL OIL AMIDE, NONIONIC SURFACTANT, CHELATE COMPOUND AND FLOW CONTROL AGENT TARGOSZ EUGENE F (US) 1997-08-19 US claimed