SCHEMBL9871063

SCHEMBL9871063

Cc1cc(C)c(/C=C/[C@H]2C[C@H](O)CC(=O)O2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 11/20 0.74

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
SCHEMBL10424692 1.00 HMGCR (0.74) HMGCR
SCHEMBL10424071 0.89 HMGCR (0.78) HMGCR
SCHEMBL10425482 0.88 HMGCR (0.59) HMGCR
SCHEMBL10425481 0.88 HMGCR (0.79) HMGCR
SCHEMBL10554029 0.85 HMGCR (0.72) HMGCR
SCHEMBL9872785 0.85 HMGCR (1.00) HMGCR
SCHEMBL10512078 0.82 HMGCR (0.49) HMGCR
SCHEMBL9872045 0.82 HMGCR (1.00) HMGCR
SCHEMBL9872047 0.82 HMGCR (1.00) HMGCR
SCHEMBL10424011 0.81 HMGCR (0.69) HMGCR

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
US-4997837-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-05 US disclosed
US-4906624-A 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-03-06 US disclosed
EP-0306929-A2 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed