SCHEMBL9632001

SCHEMBL9632001

CCCCOc1ccc(CC(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.42
CA7 P43166 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
OPRM1 P35372 1/20 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
SCHEMBL9633753 0.93 ADRA1D (0.41) ATMCA12CA1CA2CA9
SCHEMBL9632900 0.88 CA12 (0.48) CA12CA1CA2CA9ADRB2
SCHEMBL30610782 0.82 PKM (0.57) CA12CA1CA2CA9TSHR
SCHEMBL48765 0.82 PKM (0.57) CA12CA1CA2CA9TSHR
SCHEMBL14351033 0.81 THRA (0.51) ATMPTPN1PTPN6PTPN11SMN1; SMN2
SCHEMBL25832269 0.76 SLC22A12 (0.48) ATMTSHRADRA1AHTR2BPTPN1
SCHEMBL27611536 0.75 PKM (0.50) ADRB2ADRB1HTR1AADRA2ADRD2
SCHEMBL8442451 0.75 CA1 (0.49) ATMCA12CA1CA2CA9
SCHEMBL14396478 0.75 CA2 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL6191213 0.74 GLA (0.51) ATMCA12CA1CA2CA9

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