SCHEMBL8724616

SCHEMBL8724616

CC(C)COC[C]COCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8908083 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2090540 0.77
SCHEMBL4984557 0.77
SCHEMBL24856 0.75
SCHEMBL12353675 0.73
SCHEMBL8908133 0.73
SCHEMBL13262659 0.73 CYP1A2 (0.33) ALDH1A1
SCHEMBL15400759 0.72 ALDH1A1 (0.40) ALDH1A1
Phosphine SCHEMBL21380516 0.72 ALDH1A1 (0.40) ALDH1A1
Water SCHEMBL20597605 0.72 ALDH1A1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed