SCHEMBL9644252

SCHEMBL9644252

C=CC[C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1C2=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.71
▸ PTGES O14684 1/20 0.49
▸ ACLY P53396 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ EBP Q15125 4/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ PRKAG1 P54619 8/20 0.42
▸ PRKAA2 P54646 8/20 0.42
▸ PRKAB1 Q9Y478 8/20 0.42
▸ 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
SCHEMBL9766794 0.91 HMGCR (0.71) HMGCRPTGESACLYACACAEBP
SCHEMBL9766787 0.91 HMGCR (0.71) HMGCRPTGESACLYACACAEBP
SCHEMBL9766763 0.86 HMGCR (0.73) HMGCRPTGESACLYACACAEBP
SCHEMBL9766767 0.86 HMGCR (0.73) HMGCRPTGESACLYACACAEBP
SCHEMBL13384620 0.85 HMGCR (0.79) HMGCRPTGESACLYACACAEBP
SCHEMBL9766761 0.83 HMGCR (0.74) HMGCRPTGESACLYACACAEBP
SCHEMBL9766765 0.83 HMGCR (0.74) HMGCRPTGESACLYACACAEBP
SCHEMBL9644097 0.83 HMGCR (0.51) HMGCRPTGESACLYACACAEBP
SCHEMBL9769589 0.78 HMGCR (0.69) HMGCRPTGESACLYACACAEBP
SCHEMBL9769631 0.78 HMGCR (0.69) HMGCRPTGESACLYACACAEBP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276823-B1 14,15-SUBSTITUTED LANOSTEROLS AND THEIR USE AS HYPOCHOLESTEROLEMIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-09-23 — — EP disclosed
US-5041432-A Enzyme inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-20 — — US disclosed
US-5034548-A Enzyme inhibitors for reducing serum cholesterol E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-23 — — US disclosed
EP-0276823-A2 14,15-Substituted lanosterols and their use as hypocholesterolemic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-08-03 — — EP disclosed
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