SCHEMBL8513182

SCHEMBL8513182

NCC(N)CCCS(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
LMNA P02545 1/20 0.44
SLC6A6 P31641 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
ENPEP Q07075 1/20 0.39
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL999249 0.86 LMNA (0.48) APPLMNASLC6A6CYP2C19BLM
SCHEMBL28606531 0.82 APP (0.46) APPLMNASLC6A6CYP2C19BLM
SCHEMBL9318719 0.81 APP (0.42) APPLMNASLC6A6CYP2C19BLM
SCHEMBL27899209 0.80 APP (0.44) APPLMNASLC6A6CYP2C19BLM
SCHEMBL28595839 0.80 APP (0.44) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1491254 0.78 APP (0.52) APPLMNASLC6A6CYP2C19BLM
SCHEMBL28704557 0.76 APP (0.50) APPLMNASLC6A6CYP2C19BLM
SCHEMBL10882721 0.76 ENPEP (0.68) LMNAENPEPTP53
Potassium Ion SCHEMBL8043024 0.76 ENPEP (0.62) LMNAENPEPTP53
SCHEMBL28595838 0.76 APP (0.50) APPLMNASLC6A6CYP2C19BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643332-B1 METHOD FOR BUFFERING A CHEMICAL OR BIOLOGICAL COMPOSITION SACHEM INC (US) 2014-10-22 EP disclosed
EP-2643332-A2 METHOD FOR BUFFERING A CHEMICAL OR BIOLOGICAL COMPOSITION Sachem, Inc. (US) 2013-10-02 EP disclosed
WO-2012071102-A2 BUFFER COMPOUNDS SACHEM, INC. (US) 2012-05-31 WO disclosed
CN-1993118-B Aqueous eye drops with accelerated intraocular migration permeability SENJU PHARMA CO 2010-06-16 CN disclosed
CN-1993118-A Aqueous eye drops with accelerated intraocular migration permeability SENJU PHARMA CO (JP) 2007-07-04 CN disclosed
US-5182213-A Coupling a Phenylenediamine and a Naphthol MILES INC. (US) 1993-01-26 US disclosed
EP-0504663-A1 Peroxidase indicator system for basic media Bayer Corporation (US) 1992-09-23 EP disclosed