SCHEMBL9726743

SCHEMBL9726743

CCOC(=O)CC(=O)CC(O)/C=C/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.58
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9726745 1.00 HMGCR (0.58) HMGCRMEN1GAAMAPTKMT2A
SCHEMBL9726642 0.95 HMGCR (0.64) HMGCR
SCHEMBL9726639 0.95 HMGCR (0.64) HMGCR
SCHEMBL9798888 0.91 HMGCR (0.60) HMGCRGAA
SCHEMBL9798880 0.91 HMGCR (0.60) HMGCRGAA
SCHEMBL9726914 0.90 HMGCR (0.47) HMGCRMEN1GAAMAPTKMT2A
SCHEMBL9726918 0.90 HMGCR (0.47) HMGCRMEN1GAAMAPTKMT2A
SCHEMBL9726503 0.85 HMGCR (0.52) HMGCR
SCHEMBL9726510 0.85 HMGCR (0.52) HMGCR
SCHEMBL9726495 0.85 HMGCR (0.52) 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