SCHEMBL9769862

SCHEMBL9769862

CCOC(=O)CC(=O)CC(O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1cnnn1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.61
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL9769868 1.00 HMGCR (0.61) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9802506 0.87 HMGCR (0.74) HMGCR
SCHEMBL9769786 0.87 HMGCR (0.74) HMGCR
SCHEMBL9769949 0.84 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9769943 0.84 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9769858 0.80 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9769851 0.80 HMGCR (0.51) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726642 0.80 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726639 0.80 HMGCR (0.64) HMGCRKDM4EHPGDHTTHSD17B10
SCHEMBL9726517 0.79 HMGCR (0.51) 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