SCHEMBL9856801

SCHEMBL9856801

CC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.65

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
SCHEMBL14283405 0.95 HMGCR (0.60) HMGCR
SCHEMBL14283436 0.95 HMGCR (0.60) HMGCR
SCHEMBL14283432 0.86 HMGCR (0.50) HMGCR
SCHEMBL9857125 0.84 HMGCR (0.64) HMGCR
SCHEMBL9856784 0.83 HMGCR (0.63) HMGCR
SCHEMBL9856756 0.82 HMGCR (0.52) HMGCR
SCHEMBL9856821 0.82 HMGCR (0.75) HMGCR
SCHEMBL9856817 0.82 HMGCR (0.75) HMGCR
SCHEMBL9856946 0.82 HMGCR (0.61) HMGCR
SCHEMBL9856838 0.81 HMGCR (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436851-A1 Compounds active as inhibitors of the enzyme HMG-CoA reductase and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1991-07-17 EP disclosed