SCHEMBL8507944

SCHEMBL8507944

CC(=O)C1=CC2C=CC1C2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNA7 P36544 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19245738 0.81
SCHEMBL4169291 0.79 KDM4E (0.36) ALDH1A1
SCHEMBL10821772 0.66
SCHEMBL11880378 0.65
SCHEMBL6131421 0.61
SCHEMBL5365847 0.61
Hydrochloric Acid SCHEMBL4460764 0.61
SCHEMBL14954341 0.59
SCHEMBL2000716 0.58 CYP19A1 (0.36) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL24445784 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642545-B1 A PROCESS FOR THE PREPARATION OF CO-POLYMERS OF CARBON MONOXIDE AND ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INT RESEARCH (NL) 1999-09-22 EP claimed
EP-0642545-B1 A PROCESS FOR THE PREPARATION OF CO-POLYMERS OF CARBON MONOXIDE AND ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INT RESEARCH (NL) 1999-09-22 EP disclosed
EP-0642545-A1 A PROCESS FOR THE PREPARATION OF CO-POLYMERS OF CARBON MONOXIDE AND ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-03-15 EP disclosed
US-5338825-A Polymer preparation SHELL OIL COMPANY (US) 1994-08-16 US disclosed
WO-1993024553-A1 A PROCESS FOR THE PREPARATION OF CO-POLYMERS OF CARBON MONOXIDE AND ETHYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1993-12-09 WO disclosed