SCHEMBL9726484

SCHEMBL9726484

CC(C)n1nnnc1C(C=O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.43
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL9727162 0.87 HMGCR (0.45) HMGCRTSHR
SCHEMBL9727161 0.87 HMGCR (0.45) HMGCRTSHR
SCHEMBL9726596 0.85 HMGCR (0.44) HMGCRTSHR
SCHEMBL9726591 0.85 HMGCR (0.44) HMGCRTSHR
SCHEMBL9726533 0.83 HMGCR (0.55) HMGCR
SCHEMBL9726806 0.80 HMGCR (0.43) HMGCRHPGD
SCHEMBL9726697 0.79 HMGCR (0.52) HMGCR
SCHEMBL9726705 0.79 HMGCR (0.52) HMGCR
SCHEMBL9726690 0.79 HMGCR (0.52) HMGCR
SCHEMBL9726610 0.78 HMGCR (0.39) HMGCRTSHRHPGDHCAR3HCAR2

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