SCHEMBL2167950

SCHEMBL2167950

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 16/20 0.42
TP53 P04637 1/20 0.38
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL2167503 1.00 ENPEP (0.42) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL2167506 1.00 ENPEP (0.42) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL2168312 0.89 ENPEP (0.40) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL7055144 0.87 ENPEP (0.40) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL2168652 0.86 ENPEP (0.43) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL2167512 0.86 ENPEP (0.43) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL2168649 0.86 ENPEP (0.43) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL3626027 0.79 ENPEP (0.43) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL4744742 0.79 S1PR2 (0.44) ENPEPTP53S1PR2S1PR1S1PR3
SCHEMBL21623887 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726304-B2 2011-07-20 JP claimed
JP-2003517458-A 2003-05-27 JP claimed
EP-1276483-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-01-22 EP claimed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 WO claimed