SCHEMBL3799351

SCHEMBL3799351

C[C@H](N)C(=O)OS(=O)(=O)CCN

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
GABRR1 P24046 2/20 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
SCHEMBL29022789 0.84 LMNA (0.34) LMNASLC6A6CYP2C19BLMGABRR1
SCHEMBL16341776 0.83 LMNA (0.31) LMNASLC6A6CYP2C19BLM
SCHEMBL8200267 0.81 TP53 (0.33) LMNACYP2C19
SCHEMBL27596902 0.80 DPP4 (0.36)
SCHEMBL1154473 0.79 LMNA (0.37) LMNASLC6A6CYP2C19BLM
SCHEMBL2015093 0.78 LMNA (0.33) LMNASLC6A6CYP2C19BLM
SCHEMBL31324268 0.78 LMNA (0.34) LMNASLC6A6CYP2C19BLM
SCHEMBL5164474 0.77 PTGS1 (0.39) LMNASLC6A6CYP2C19BLM
SCHEMBL28257351 0.76 GSR (0.41) LMNASLC6A6CYP2C19BLM
SCHEMBL8741229 0.76 GABRR1 (0.32) LMNASLC6A6CYP2C19BLMGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252292-A2 CARDIOPLEGIA SOLUTION FOR CARDIAC SURGERY President and Fellows of Harvard College (US) 2010-11-24 EP disclosed
WO-2009105165-A2 CARDIOPLEGIA SOLUTION FOR CARDIAC SURGERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-27 WO disclosed