SCHEMBL9713337

SCHEMBL9713337

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
LTA4H P09960 2/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
ACACB O00763 3/20 0.47
ACACA Q13085 2/20 0.47
PPARA Q07869 2/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL9713332 1.00 MTNR1A (0.53) MTNR1AMTNR1BLTA4HLMNASMN1; SMN2
SCHEMBL578331 0.94 MTNR1A (0.58) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL896831 0.88 MTNR1A (0.53) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL896674 0.88 MTNR1A (0.53) MTNR1AMTNR1BLMNAMAPTPOLB
Propylene Glycol SCHEMBL19641584 0.85 LMNA (0.56) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL12875462 0.85 ABCB1 (0.58) LMNASMN1; SMN2PPARAMAPTPOLB
SCHEMBL13997916 0.82 MTNR1A (0.60) MTNR1AMTNR1BLMNAPPARAMAPT
SCHEMBL4773647 0.81 MAPT (0.48) MTNR1AMTNR1BLMNASMN1; SMN2MAPT
SCHEMBL4773642 0.81 MAPT (0.48) MTNR1AMTNR1BLMNASMN1; SMN2MAPT
SCHEMBL19641585 0.81 LMNA (0.63) MTNR1AMTNR1BLMNAMAPTPOLB

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 10 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 claimed
EP-0246713-A2 Intermediates for the production of nitrogen-containing substituted heterocyclic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-25 EP claimed
EP-0128648-A1 Nitrogen-containing heterocyclic compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-19 EP claimed
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