SCHEMBL7954946

SCHEMBL7954946

CC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 11/20 0.51

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
SCHEMBL4453107 0.89 HMGCR (0.49) HMGCR
SCHEMBL4566288 0.89 HMGCR (0.49) HMGCR
SCHEMBL4449603 0.89 HMGCR (0.49) HMGCR
SCHEMBL7952917 0.89 HMGCR (0.49) HMGCR
SCHEMBL12198698 0.88 HMGCR (0.55) HMGCR
SCHEMBL13453051 0.87 HMGCR (0.48) HMGCR
SCHEMBL3167877 0.86 HMGCR (0.47) HMGCR
SCHEMBL4079332 0.86 HMGCR (0.56) HMGCR
SCHEMBL1021914 0.86 HMGCR (0.56) HMGCR
SCHEMBL11295264 0.86 HMGCR (0.56) 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
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 — — WO disclosed
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