SCHEMBL9726588

SCHEMBL9726588

CC(C)(C)OC(=O)CC(=O)CC(O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.40
DGAT2 Q96PD7 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
SCHEMBL9726593 1.00 HMGCR (0.40) HMGCRDGAT2
SCHEMBL9726888 0.89 HMGCR (0.42) HMGCR
SCHEMBL9726884 0.89 HMGCR (0.42) HMGCR
SCHEMBL9726865 0.82 HMGCR (0.42) HMGCR
SCHEMBL9726863 0.82 HMGCR (0.42) HMGCR
SCHEMBL10610197 0.82 HMGCR (0.51) HMGCR
SCHEMBL10608540 0.78 HMGCR (0.62) HMGCR
SCHEMBL9799128 0.78 HMGCR (0.62) HMGCR
SCHEMBL9799123 0.78 HMGCR (0.62) HMGCR
SCHEMBL9799371 0.78 SMN1; SMN2 (0.32) 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 3 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-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