SCHEMBL9726504

SCHEMBL9726504

CCOC(=O)CC(=O)CC(O)C=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1COCCOC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.46
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL9726497 1.00 HMGCR (0.46) HMGCRHSD17B10USP2KDM4EHPGD
SCHEMBL9726700 0.88 HMGCR (0.51) HMGCRHSD17B10KDM4EHPGDHTT
SCHEMBL9726704 0.88 HMGCR (0.51) HMGCRHSD17B10KDM4EHPGDHTT
SCHEMBL9726710 0.85 HMGCR (0.39) HMGCRHSD17B10KDM4EHPGDHTT
SCHEMBL9726719 0.85 HMGCR (0.39) HMGCRHSD17B10KDM4EHPGDHTT
SCHEMBL9726642 0.84 HMGCR (0.64) HMGCRHSD17B10KDM4EHPGDHTT
SCHEMBL9726639 0.84 HMGCR (0.64) HMGCRHSD17B10KDM4EHPGDHTT
SCHEMBL9726873 0.84 HMGCR (0.58) HMGCR
SCHEMBL9726876 0.84 HMGCR (0.58) HMGCR
SCHEMBL9726517 0.83 HMGCR (0.51) HMGCRHSD17B10KDM4EHPGDHTT

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