SCHEMBL11433337

SCHEMBL11433337

C=C1C(=O)CCC(C)(C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.30
ALOX15 P16050 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
SCHEMBL3859660 0.79
SCHEMBL21202257 0.75
SCHEMBL10700795 0.67 MAPT (0.31) MAPTALOX15
SCHEMBL4392009 0.67 POLB (0.34)
SCHEMBL15021 0.67 RAB9A (0.31)
SCHEMBL15655854 0.65 POLB (0.36)
SCHEMBL2574122 0.64 MAPT (0.36) MAPTALOX15
SCHEMBL2690654 0.64
SCHEMBL11497934 0.64
SCHEMBL855995 0.63 MAPT (0.41) MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4227022-A CHEMICAL INTERMEDIATES FOR FOOD COLORING AGENTS; CANTHAXANTHIN HOFFMANN-LA ROCHE INC. (US) 1980-10-07 US disclosed
US-4157345-A INTERMEDIATE IN SYNTHESIS OF CANTHAXANTHIN HOFFMANN-LA ROCHE INC. (US) 1979-06-05 US disclosed
US-4153805-A REACTING 1-(1-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-EN-1-YL)-3-ALKOXY-3-METHYL-PENT-4-EN-1-YNE WITH AN ALKANOIC ACID HOFFMANN-LA ROCHE INC. (US) 1979-05-08 US disclosed
US-4111992-A SUBSTITUTED CYCLOHEXENONES HOFFMANN-LA ROCHE INC. (US) 1978-09-05 US disclosed
US-4088689-A INTERMEDIATES FOR CANTHAXANTHIN HOFFMANN-LA ROCHE INC. (US) 1978-05-09 US disclosed
US-4045476-A CANTHAXANTHIN INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1977-08-30 US disclosed
US-4025564-A FOOD COLORING AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-05-24 US disclosed
US-4000198-A INTERMEDIATE FOR CANTHAXANTHIN HOFFMANN-LA ROCHE INC. (US) 1976-12-28 US disclosed