Sugi Predict

Sugi Predict / Compounds / SCHEMBL9872047

SCHEMBL9872047

SCHEMBL9872047

Cc1cc(-c2ccc(F)cc2)c(/C=C/C2CC(O)CC(=O)O2)c(C(C)C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 12/20 1.00

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
SCHEMBL9872045 1.00 HMGCR (1.00) HMGCR
SCHEMBL9527887 0.93 HMGCR (1.00) HMGCR
SCHEMBL9022809 0.91 HMGCR (0.88) HMGCR
SCHEMBL9870944 0.91 HMGCR (0.84) HMGCR
SCHEMBL9023254 0.91 HMGCR (0.84) HMGCR
SCHEMBL9872785 0.90 HMGCR (1.00) HMGCR
Glenvastatin SCHEMBL49508 0.90 HMGCR (1.00) HMGCR
Glenvastatin SCHEMBL1040744 0.90 HMGCR (1.00) HMGCR
Glenvastatin SCHEMBL1660022 0.90 HMGCR (1.00) HMGCR
Glenvastatin SCHEMBL1040745 0.90 HMGCR (1.00) 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