SCHEMBL9713465

SCHEMBL9713465

CC(COc1ccc(Oc2ccccc2)cc1)OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
LMNA P02545 3/20 0.46
PGR P06401 1/20 0.45
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL9713456 1.00 LTA4H (0.47) LTA4HLMNAPGRMAOAPTGS1
SCHEMBL4851435 0.94 LMNA (0.52) LMNAPGRMAOAPTGS1MTNR1A
SCHEMBL28903042 0.81 CYP1A2 (0.42)
SCHEMBL6505934 0.81 CA12 (0.40) LMNA
SCHEMBL6505929 0.81 CA12 (0.40) LMNA
SCHEMBL30189558 0.80 AGXT (0.45)
SCHEMBL13020440 0.80 AGXT (0.45)
SCHEMBL9451349 0.79 LMNA (0.50) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL2160496 0.79 LMNA (0.55) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL9713337 0.78 MTNR1A (0.53) LTA4HLMNAMTNR1AMTNR1BSMN1; SMN2

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 6 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
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