SCHEMBL9633753

SCHEMBL9633753

CCCOc1ccc(CC(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CSNK2A1 P68400 2/20 0.40
CA12 O43570 2/20 0.40

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
SCHEMBL9632001 0.93 ATM (0.43) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL9632900 0.89 CA12 (0.48) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL48765 0.83 PKM (0.57) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL30610782 0.83 PKM (0.57) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL6191213 0.81 GLA (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL14396478 0.76 CA2 (0.40) ADRB2ADRB1CA12CA1CA2
SCHEMBL31411880 0.74 CA1 (0.50) MAPTHSD17B10CA12CA1CA2
SCHEMBL2398831 0.74 CA1 (0.49) CA12CA1CA2CA9CA7
SCHEMBL14351033 0.73 THRA (0.51) MAPTALDH1A1GAALMNAHPGD
SCHEMBL9632495 0.73 ALDH1A1 (0.43) MAPTPKMALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed