SCHEMBL2168093

SCHEMBL2168093

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
TP53 P04637 1/20 0.35
ENPEP Q07075 5/20 0.34
APP P05067 1/20 0.33
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
PMP22 Q01453 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
SCHEMBL2168457 1.00 S1PR2 (0.41) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL355325 0.85 S1PR2 (0.41) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL354858 0.85 S1PR2 (0.41) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL356000 0.85 S1PR2 (0.41) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL5026578 0.77
SCHEMBL475492 0.76 S1PR2 (0.47) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL356494 0.75
SCHEMBL21623887 0.75
SCHEMBL11551439 0.75 PTGS1 (0.38) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL6772116 0.74 TRPV1 (0.50) S1PR2S1PR1S1PR3LMNASLC6A6

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 8 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-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP 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-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 WO claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP disclosed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO disclosed