SCHEMBL10937745

SCHEMBL10937745

CCCCCCCCCCCCCCCCCC(=O)c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM5 P08912 1/20 0.56
ADRA2A P08913 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
CHRM3 P20309 1/20 0.56
DRD4 P21917 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
ADRA1B P35368 1/20 0.56
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL8510526 1.00 CHRM1 (0.56) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL8525198 0.98 CHRM1 (0.57) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL4936709 0.93 CHRM1 (0.58) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL5271809 0.87 ERCC5 (0.53) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL27614839 0.86 HTT (0.54) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL3346960 0.85 CTNNB1 (0.58) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL19320728 0.85 HTT (0.46) CHRM1CHRM2CHRM4HTR1ACHRM5
Ammonia Solution, Strong SCHEMBL27690137 0.85 HTT (0.53) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL19757455 0.84 HSD17B3 (0.58) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL4498435 0.84 CHRM1 (0.72) CHRM1CHRM2CHRM4HTR1ACHRM5

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-0100741-B1 PROCESS FOR THE STABILIZATION OF VINYL CHLORIDE POLYMERS RHONE-POULENC CHIMIE (FR) 1985-11-21 EP disclosed