SCHEMBL8727774

SCHEMBL8727774

NCC(N)(CCCS(=O)(=O)O)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
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
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
SCHEMBL9323569 0.74 FDPS (0.55) APPLMNASLC6A6CYP2C19BLM
SCHEMBL27971734 0.72 LMNA (0.48) APPLMNASLC6A6CYP2C19BLM
SCHEMBL28916662 0.71 APP (0.44) APPLMNASLC6A6CYP2C19BLM
SCHEMBL15525582 0.70 APP (0.43) APPLMNASLC6A6CYP2C19BLM
SCHEMBL3181161 0.70 APP (0.43) APPLMNASLC6A6CYP2C19BLM
SCHEMBL23927997 0.70 APP (0.43) APPLMNASLC6A6CYP2C19BLM
Ethylenediamine SCHEMBL1487301 0.69 APP (0.78) APPLMNASLC6A6CYP2C19BLM
Tramiprosate SCHEMBL26759 0.69
SCHEMBL3134538 0.69 APP (0.46) APPLMNASLC6A6CYP2C19BLM
SCHEMBL3134376 0.69 APP (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5733787-A COPPER IONS, HYDROPEROXIDE, CHELATING AGENT BAYER CORPORATION (US) 1998-03-31 US disclosed
EP-0814335-A2 Method for the detection of creatinine Bayer Corporation (US) 1997-12-29 EP disclosed