SCHEMBL9769949

SCHEMBL9769949

CCOC(=O)CC(=O)CC(O)C=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnnc1C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.64
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 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
SCHEMBL9769943 1.00 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9769851 0.89 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9769858 0.89 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9769870 0.89 HMGCR (0.68) HMGCRHPGD
SCHEMBL9769865 0.89 HMGCR (0.68) HMGCRHPGD
SCHEMBL9769926 0.87 HMGCR (0.77) HMGCR
SCHEMBL9769923 0.87 HMGCR (0.77) HMGCR
SCHEMBL9769868 0.84 HMGCR (0.61) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9769862 0.84 HMGCR (0.61) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726639 0.83 HMGCR (0.64) 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-5070206-A INHIBITORS OF 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE; ANTICHOLESTEROL, ANTILIPEMIC BRISTOL-MYERS COMPANY (US) 1991-12-03 US disclosed
US-5010205-A Antihypercholesterolemic tetrazol-1-yl intermediates BRISTOL-MYERS COMPANY (US) 1991-04-23 US disclosed
EP-0355820-A1 Antihypercholesterolemic tetrazol-1-yl compounds Bristol-Myers Squibb Company (US) 1990-02-28 EP disclosed
US-4870187-A ANTILIPEMIC, ATHEROSCLEROSIS BRISTOL-MYERS COMPANY (US) 1989-09-26 US disclosed