SCHEMBL9713476

SCHEMBL9713476

C[C@@H](O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.85
LTA4H P09960 5/20 0.57
CYP2D6 P10635 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
MAOA P21397 1/20 0.50
PTGS1 P23219 1/20 0.50
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLA2G2A P14555 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL4046461 1.00 LMNA (0.85) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL1496544 1.00 LMNA (0.85) LMNALTA4HCYP2D6ADRB2ADRB1
Toluene SCHEMBL28503513 0.93 LMNA (0.73) LMNALTA4HCYP2D6ADRB2ADRB1
SCHEMBL1618880 0.92 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL50453 0.92 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL3254859 0.92 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL2943775 0.92 LMNA (1.00) LMNACYP2D6ADRB2ADRB1ADRB3
Methoxymethane SCHEMBL9729148 0.88 LMNA (0.92) LMNACYP2D6ADRB2ADRB1ADRB3
Alcohol SCHEMBL5067801 0.86 LMNA (0.88) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL5949941 0.85 LMNA (0.78) LMNACYP2D6ADRB2ADRB1ADRB3

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