SCHEMBL9713367

SCHEMBL9713367

COc1ccc(Oc2cc(F)cc(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NFE2L2 Q16236 3/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PARP10 Q53GL7 1/20 0.44
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 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
SCHEMBL10715281 0.88 VEGFA (0.46) LTA4HCA1CA9CA12MEN1
SCHEMBL10875538 0.86 LTA4H (0.45) LTA4HCA1CA2CA7CA9
SCHEMBL15474260 0.84 ACHE (0.52) LTA4HMEN1ALDH1A1KMT2ARELA
SCHEMBL5175480 0.83 NFE2L2 (0.64) LTA4HCA1CA2CA7CA9
SCHEMBL28356668 0.82 NQO2 (0.57) LTA4HCA1CA2CA7CA9
SCHEMBL10828065 0.81 LTA4H (0.59) LTA4HCA1CA2CA7CA9
SCHEMBL186502 0.80 ALDH1A1 (0.59) CA1CA2CA7CA9CA12
SCHEMBL11580995 0.80 CA1 (0.79) LTA4HCA1CA2CA7CA9
SCHEMBL6640769 0.80 CA12 (0.42) CA1CA9CA12FFAR4
SCHEMBL83811 0.80 CA1 (0.79) LTA4HCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0246713-B1 INTERMEDIATES FOR THE PRODUCTION OF NITROGEN-CONTAINING SUBSTITUTED HETEROCYCLIC COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-04 EP disclosed
US-4970222-A INSECTICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-11-13 US disclosed
US-4879292-A Certain-phenoxy-phenoxy-alkylene-oxy-pyrimidines or symmetrical triazines, thio-analogues thereof, having insecticidal activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-07 US disclosed
EP-0128648-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP disclosed
US-4751225-A Certain 2-pyridyloxy-lower alkylene-oxy-phenoxy compounds, thio-and methylene analogues having insecticidal properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-14 US disclosed
EP-0246713-A2 Intermediates for the production of nitrogen-containing substituted heterocyclic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-25 EP disclosed
EP-0128648-A1 Nitrogen-containing heterocyclic compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-19 EP disclosed