SCHEMBL10789484

SCHEMBL10789484

CCCC(S)N(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GRIK1 P39086 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL10784056 0.87 CA2 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL9420147 0.81
SCHEMBL11610819 0.79 CHRM1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13741451 0.76 CHRM1 (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8938928 0.76 CHRM1 (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11775378 0.74 CHRM1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1428223 0.73 CHRM1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL14966957 0.70 CHRM1 (0.38) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2527132 0.69
SCHEMBL9420210 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4695314-A S-benzyl thiolcarbamates and their use in controlling weeds in rice fields STAUFFER CHEMICAL COMPANY (US) 1987-09-22 US disclosed
EP-0083648-B1 S-BENZYL THIOLCARBAMATES AND THEIR USE IN CONTROLLING WEEDS IN RICE FIELDS STAUFFER CHEMICAL COMPANY (US) 1986-06-04 EP disclosed
EP-0083648-A4 S-BENZYL THIOLCARBAMATES AND THEIR USE IN CONTROLLING WEEDS IN RICE FIELDS. STAUFFER CHEMICAL CO (US) 1984-01-10 EP disclosed
EP-0083648-A1 S-BENZYL THIOLCARBAMATES AND THEIR USE IN CONTROLLING WEEDS IN RICE FIELDS. STAUFFER CHEMICAL CO (US) 1983-07-20 EP disclosed
WO-1983000329-A1 S-BENZYL THIOLCARBAMATES AND THEIR USE IN CONTROLLING WEEDS IN RICE FIELDS STAUFFER CHEMICAL CO (US) 1983-02-03 WO disclosed