SCHEMBL10799445

SCHEMBL10799445

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.65
▸ ABCB1 P08183 1/20 0.63
▸ ABCC2 Q92887 1/20 0.63
▸ SLCO1B1 Q9Y6L6 1/20 0.63

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
SCHEMBL10799453 1.00 HMGCR (0.65) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10799442 1.00 HMGCR (0.65) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10631807 0.89 HMGCR (0.74) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10631798 0.89 HMGCR (0.74) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10631793 0.89 HMGCR (0.74) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10634602 0.89 HMGCR (0.55) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10634614 0.89 HMGCR (0.55) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10634593 0.89 HMGCR (0.55) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10634453 0.87 HMGCR (0.66) HMGCRABCB1ABCC2SLCO1B1
SCHEMBL10634434 0.87 HMGCR (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
Send feedback