SCHEMBL10732001

SCHEMBL10732001

CS(=O)(=O)OCCC1=C(CCOS(C)(=O)=O)c2cc(Cl)ccc2Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
DRD2 P14416 5/20 0.38
DRD4 P21917 5/20 0.38
HRH4 Q9H3N8 5/20 0.38
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
ADRB2 P07550 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
HTR1A P08908 2/20 0.38
CHRM5 P08912 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CHRM3 P20309 2/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
SLC6A2 P23975 2/20 0.38

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
SCHEMBL10732142 0.88 KDM4E (0.35) MAPK1HRH4DRD3CYP1A2CYP2D6
SCHEMBL10956290 0.85 AHR (0.40) MAPK1DRD2HRH1ADRA2AADRA2C
SCHEMBL10733698 0.78 DRD2 (0.44) MAPK1DRD2DRD4HRH4HRH1
SCHEMBL10729951 0.76 MAPK1 (0.50) MAPK1DRD2DRD4HRH4HRH2
SCHEMBL11574884 0.74 SETD7 (0.47) MAPK1DRD2DRD4HRH4HRH2
SCHEMBL10730117 0.72 MAPK1 (0.49) MAPK1DRD2DRD4HRH4HRH2
SCHEMBL10733451 0.72 MAPK1 (0.44) MAPK1HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL10731007 0.70 MAPK1 (0.47) MAPK1DRD2DRD4HRH4HRH2
SCHEMBL10734681 0.69 ACVR1 (0.39) CHRM1CYP1A2CYP3A4CYP2D6MEN1
SCHEMBL10729429 0.68 KDM4E (0.35) CHRM2HTR1AADRA2AADORA3CHRM1

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-4707476-A TRANQUILIZERS CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed