SCHEMBL9766794

SCHEMBL9766794

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.71
▸ PTGES O14684 2/20 0.51
▸ ACLY P53396 1/20 0.48
▸ ACACA Q13085 1/20 0.48
▸ HSD11B1 P28845 1/20 0.44
▸ PRKAG1 P54619 9/20 0.43
▸ PRKAA2 P54646 9/20 0.43
▸ PRKAB1 Q9Y478 9/20 0.43
▸ CDC25B P30305 1/20 0.41
▸ EBP Q15125 1/20 0.41
▸ CRYAB P02511 1/20 0.41

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
SCHEMBL9766787 1.00 HMGCR (0.71) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9644252 0.91 HMGCR (0.71) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9766767 0.88 HMGCR (0.73) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9766763 0.88 HMGCR (0.73) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9766761 0.87 HMGCR (0.74) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9766765 0.87 HMGCR (0.74) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL13384620 0.85 HMGCR (0.79) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9769631 0.80 HMGCR (0.69) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9769626 0.80 HMGCR (0.69) HMGCRPTGESACLYACACAHSD11B1
SCHEMBL9769589 0.78 HMGCR (0.69) HMGCRPTGESACLYACACAHSD11B1

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-5023250-A Anticholesterol agents SMITHKLINE BEECHAM CORPORATION (US) 1991-06-11 — — US disclosed
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