SCHEMBL9756781

SCHEMBL9756781

COC(=O)CC(O)CC(O)/C=C/c1c(C(C)C)c(C)n(Cc2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.49

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
SCHEMBL9756785 0.87 HMGCR (0.56) HMGCR
SCHEMBL9519597 0.77 HMGCR (0.65) HMGCR
SCHEMBL9756757 0.77 HMGCR (0.56) HMGCR
SCHEMBL9756770 0.76 HMGCR (0.54) HMGCR
SCHEMBL9750889 0.76 HMGCR (0.78) HMGCR
SCHEMBL9764098 0.76 ALDH1A1 (0.51)
SCHEMBL9750857 0.76 HMGCR (0.78) HMGCR
SCHEMBL27303146 0.75 HMGCR (0.48) HMGCR
SCHEMBL9756755 0.75 HMGCR (0.53) HMGCR
SCHEMBL27308983 0.74 HMGCR (0.52) 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