SCHEMBL9745319

SCHEMBL9745319

COP(=O)(C#Cc1c(-c2ccc(F)cc2)nn(-c2ccccc2)c1C(C)C)CC(O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40

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
SCHEMBL6944714 1.00 HMGCR (0.40) HMGCR
SCHEMBL6944933 0.89 HMGCR (0.41) HMGCR
SCHEMBL6944927 0.89 HMGCR (0.41) HMGCR
SCHEMBL6949271 0.85 HMGCR (0.49) HMGCR
SCHEMBL9441753 0.85 ALDH1A1 (0.32) HMGCR
SCHEMBL6944852 0.81 HMGCR (0.41) HMGCR
SCHEMBL10442012 0.80 HMGCR (0.41) HMGCR
SCHEMBL8953082 0.80
SCHEMBL9562779 0.79
SCHEMBL8952973 0.79 HMGCR (0.49) 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-5091378-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-02-25 US disclosed