SCHEMBL9726501

SCHEMBL9726501

CC(C)(C)n1nnc(C(C=CC=O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.32
AOC3 Q16853 2/20 0.30

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
SCHEMBL9726494 1.00 HMGCR (0.32) HMGCRAOC3
SCHEMBL9726796 0.88 HMGCR (0.32) HMGCRAOC3
SCHEMBL9726659 0.85 HMGCR (0.36) HMGCR
SCHEMBL9726666 0.85 HMGCR (0.36) HMGCR
SCHEMBL9726736 0.84 HMGCR (0.31) HMGCR
SCHEMBL9726734 0.84 HMGCR (0.31) HMGCR
SCHEMBL9726752 0.83 HMGCR (0.36) HMGCR
SCHEMBL9726747 0.83 HMGCR (0.36) HMGCR
SCHEMBL9726401 0.81 TRPM8 (0.39) HMGCR
SCHEMBL9726405 0.81 TRPM8 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed