SCHEMBL9632874

SCHEMBL9632874

COc1cc(F)ccc1OC(C)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGS1 P23219 1/20 0.40
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
TRPA1 O75762 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL24306428 0.85 NFE2L2 (0.46) NFE2L2KDM4ESLC6A2SLC6A4HRH1
SCHEMBL166380 0.80 NFE2L2 (0.61) NFE2L2CA12CA1CA2CA7
SCHEMBL18472613 0.80 NFE2L2 (0.61) NFE2L2CA12CA1CA2CA7
SCHEMBL4430973 0.78 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28299621 0.78 NFE2L2 (0.59) NFE2L2CA12CA1CA2CA7
SCHEMBL11563455 0.74 HTR1A (0.44) NFE2L2CA12CA1CA2CA7
SCHEMBL9423730 0.74 KMT2A (0.47) NFE2L2CA12CA1CA2CA7
SCHEMBL18356035 0.73 NFE2L2 (0.46) NFE2L2CA12CA1CA2CA7
SCHEMBL20639090 0.73 PDE4B (0.47) NFE2L2CA12CA1CA2CA7
SCHEMBL28755848 0.73 TSHR (0.52) NFE2L2CA12CA1CA2CA7

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