SCHEMBL23927997

SCHEMBL23927997

C[C@@](N)(CO)CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL3181161 1.00 APP (0.43) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL1326231 0.87 S1PR1 (0.39) APPPTGS1PDE4ALMNASLC6A6
Taurine SCHEMBL11051797 0.77 LMNA (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL15525582 0.75 APP (0.43) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL8620435 0.75 APP (0.46) APPPTGS1PDE4ALMNASLC6A6
Sulfuric Acid SCHEMBL7807448 0.74 CA5A (0.35) LMNACYP2C19BLM
SCHEMBL917586 0.73 LMNA (0.31) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9772684 0.73 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL26901492 0.73 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL28916662 0.72 APP (0.44) APPPTGS1PDE4ALMNASLC6A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330516-A1 APPARATUS, SYSTEM, AND METHOD FOR DETECTING A TARGET SUBSTANCE UNDERCOVER COLORS INC (US) 2021-10-28 US disclosed