SCHEMBL9632482

SCHEMBL9632482

COc1ccc(CCCC(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA12 O43570 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL9633026 0.92 PKM (0.55) PKMCA1CA2CA9CA14
SCHEMBL8893349 0.83 PKM (0.58) PKMCA1CA2CA9CA14
SCHEMBL30610782 0.83 PKM (0.57) PKMCA1CA2CA9CA12
SCHEMBL48765 0.83 PKM (0.57) PKMCA1CA2CA9CA12
SCHEMBL5317893 0.83 TSHR (0.50) PKMCA1CA2CA9CA14
SCHEMBL6039195 0.83 CA2 (0.53) PKMCA1CA2CA9CA14
Hydrochloric Acid SCHEMBL9632054 0.82 LMNA (0.51) PKMCA1CA2CA9CA14
SCHEMBL10415138 0.82 CA2 (0.54) PKMCA1CA2CA9CA14
SCHEMBL1803678 0.81 PKM (0.55) PKMCA1CA2CA9CA14
SCHEMBL9633238 0.81 IAPP (0.52) PKMCA1CA2CA9CA14

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