SCHEMBL9726704

SCHEMBL9726704

CCOC(=O)CC(=O)CC(O)C=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1CC

nearest known ligand 0.66

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
SCHEMBL9726700 1.00 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726642 0.90 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726639 0.90 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726770 0.89 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726517 0.89 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726497 0.88 HMGCR (0.46) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726504 0.88 HMGCR (0.46) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726577 0.88 HMGCR (0.62) HMGCR
SCHEMBL9726574 0.88 HMGCR (0.62) HMGCR
SCHEMBL9798880 0.86 HMGCR (0.60) HMGCRKDM4EHPGDHTTHSD17B10

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