SCHEMBL7680514

SCHEMBL7680514

CC(C)c1c(C(=O)O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC1CC(O)CC(=O)O1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.83
▸ ABCB1 P08183 1/20 0.83
▸ ABCC2 Q92887 1/20 0.83
▸ SLCO1B1 Q9Y6L6 1/20 0.83

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
SCHEMBL5088575 1.00 HMGCR (0.83) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10628292 0.91 HMGCR (0.77) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10628298 0.91 HMGCR (0.77) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10628294 0.91 HMGCR (0.77) HMGCRABCB1ABCC2SLCO1B1
Atorvastatin Lactone SCHEMBL1265 0.91 HMGCR (1.00) HMGCRABCB1ABCC2SLCO1B1
Atorvastatin Lactone SCHEMBL12060138 0.91 HMGCR (1.00) HMGCRABCB1ABCC2SLCO1B1
Atorvastatin Lactone SCHEMBL13762456 0.91 HMGCR (1.00) HMGCRABCB1ABCC2SLCO1B1
Atorvastatin Lactone SCHEMBL10025147 0.91 HMGCR (1.00) HMGCRABCB1ABCC2SLCO1B1
Atorvastatin Lactone SCHEMBL12648491 0.91 HMGCR (1.00) HMGCRABCB1ABCC2SLCO1B1
Atorvastatin Lactone SCHEMBL1266 0.91 HMGCR (1.00) HMGCRABCB1ABCC2SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355810-B1 TREATMENT AND PREVENTION OF HYPERCHOLESTEROLEMIA, HYPERLIPIDEMIA, ATHEROSCLEROSIS ADVANCED MEDICINE, INC. 2002-03-12 — — US disclosed
EP-1083894-A1 MULTIBINDING INHIBITORS OF HMG-CoA REDUCTASE Advanced Medicine, Inc. (US) 2001-03-21 — — EP disclosed
WO-1999063994-A9 MULTIBINDING INHIBITORS OF HMG-CoA REDUCTASE ADVANCED MEDICINE INC (US) 2000-07-27 — — WO disclosed
WO-1999063994-A1 MULTIBINDING INHIBITORS OF HMG-CoA REDUCTASE ADVANCED MEDICINE, INC. (US) 1999-12-16 — — WO disclosed
US-4775681-A Method of treating fungal infections with trans-6-[2-substitutedpyrrol-1-yl)alkyl]-4-hydroxypyran-2-ones WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
US-4647576-A Trans-6-[2-(substitutedpyrrol-1-yl)alkyl]-pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1987-03-03 — — US disclosed
EP-0179559-A2 Trans-6-[2-(substitutedpyrrol-1-yl)alkyl]-pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1986-04-30 — — EP disclosed
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