SCHEMBL9726822

SCHEMBL9726822

CCOC(=O)CC(O)CC(O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn(C(C)C)n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.54

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
SCHEMBL9726826 1.00 HMGCR (0.54) HMGCR
SCHEMBL9727002 0.90 HMGCR (0.56) HMGCR
SCHEMBL10611915 0.89 HMGCR (0.57) HMGCR
SCHEMBL9726560 0.89 HMGCR (0.44) HMGCR
SCHEMBL9726567 0.89 HMGCR (0.44) HMGCR
SCHEMBL9726607 0.86 HMGCR (0.62) HMGCR
SCHEMBL9726604 0.86 HMGCR (0.62) HMGCR
SCHEMBL9726678 0.84 HMGCR (0.38) HMGCR
SCHEMBL9726464 0.83 HMGCR (0.77) HMGCR
SCHEMBL9726467 0.83 HMGCR (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed