SCHEMBL9726517

SCHEMBL9726517

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.51
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9726770 1.00 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726918 0.95 HMGCR (0.47) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726914 0.95 HMGCR (0.47) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726642 0.90 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726639 0.90 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726704 0.89 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726700 0.89 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL10612437 0.89 HMGCR (0.55) HMGCR
SCHEMBL9726604 0.88 HMGCR (0.62) HMGCR
SCHEMBL9726607 0.88 HMGCR (0.62) 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