SCHEMBL9633238

SCHEMBL9633238

CCC(=O)CCc1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.52
PKM P14618 1/20 0.52
ALOX5 P09917 2/20 0.51
OR51E2 Q9H255 1/20 0.51
CYP3A4 P08684 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C8 P10632 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2B6 P20813 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP19A1 P11511 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
HTR1A P08908 2/20 0.43
ADRB2 P07550 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
SCHEMBL8893349 0.86 PKM (0.58) PKMALOX5OR51E2CYP19A1CA1
SCHEMBL9633026 0.86 PKM (0.55) PKMALOX5OR51E2CYP3A4CYP1A2
SCHEMBL10639502 0.83 PKM (0.53) PKMALOX5CYP3A4CYP1A2CA1
SCHEMBL18396941 0.81 IAPP (0.69) IAPPALOX5OR51E2CYP3A4CYP1A2
SCHEMBL1803678 0.81 PKM (0.55) PKMCYP3A4CYP1A2CA1CA2
SCHEMBL9632482 0.81 PKM (0.52) PKMALOX5OR51E2CYP3A4CYP1A2
SCHEMBL8500981 0.81 ALOX5 (0.60) IAPPALOX5OR51E2CYP3A4CYP1A2
SCHEMBL6039195 0.80 CA2 (0.53) PKMCYP3A4CYP1A2CYP2C8CYP2C9
SCHEMBL142264 0.80 KDM4E (0.62) PKMCYP3A4CYP1A2CYP19A1CA1
SCHEMBL1803675 0.80 PKM (0.56) PKMCYP3A4CYP1A2CA1CA2

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