SCHEMBL26035302

SCHEMBL26035302

CCC[N+](CC)(CC)CCSC(=O)NC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.33
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL16353062 0.96 SLC22A1 (0.33) SLC22A1CYP2C19POLBBLMATM
SCHEMBL16353078 0.90 CYP2C19 (0.35) CYP2C19POLBBLMATMALDH1A1
SCHEMBL16353076 0.90 SLC22A1 (0.35) SLC22A1ALDH1A1NPSR1
SCHEMBL24400613 0.77 DNM1 (0.33)
SCHEMBL12987325 0.77
SCHEMBL25443895 0.76 BBOX1 (0.39) CYP2C19POLBBLMATM
SCHEMBL16353064 0.75 CYP2C19 (0.58) CYP2C19POLBBLMATM
SCHEMBL16352995 0.74 CYP2C19 (0.56) SLC22A1CYP2C19POLBBLMATM
SCHEMBL16352988 0.72 TDP1 (0.37) SLC22A1CYP2C19POLBBLMATM
SCHEMBL16353061 0.72 SLC22A1 (0.36) SLC22A1CYP2C19POLBBLMATM

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
EP-3984456-B1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, POLYMER COMPOUND, AND COMPOSITE SHINETSU CHEMICAL CO (JP) 2023-08-23 EP disclosed