SCHEMBL9756748

SCHEMBL9756748

Cc1c(C(C)C)c(C=CC(O)CC(=O)CC(=O)O)c(-c2ccc(F)cc2)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 0.48

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
SCHEMBL9756747 1.00 HMGCR (0.48) HMGCR
SCHEMBL9756785 0.84 HMGCR (0.56) HMGCR
SCHEMBL10640337 0.79 HMGCR (0.70) HMGCR
SCHEMBL10640328 0.79 HMGCR (0.70) HMGCR
SCHEMBL10335175 0.79 HMGCR (0.42) HMGCR
SCHEMBL10335174 0.79 HMGCR (0.42) HMGCR
SCHEMBL9756864 0.78 HMGCR (0.38) HMGCR
SCHEMBL9756865 0.78 HMGCR (0.38) HMGCR
SCHEMBL9756772 0.77 HMGCR (0.48) HMGCR
SCHEMBL9764105 0.77 MEN1 (0.39) 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
US-4992462-A Inhibitor of HMG-CoA reductase BAYER AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed