SCHEMBL9769870

SCHEMBL9769870

Cc1nnnn1C(C=CC(O)CC(=O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.68
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL9769865 1.00 HMGCR (0.68) HMGCRALDH1A1HPGD
SCHEMBL9769943 0.89 HMGCR (0.64) HMGCRHPGD
SCHEMBL9769949 0.89 HMGCR (0.64) HMGCRHPGD
SCHEMBL10437579 0.88 HMGCR (0.53) HMGCRALDH1A1HPGD
SCHEMBL10437581 0.88 HMGCR (0.53) HMGCRALDH1A1HPGD
SCHEMBL10555078 0.86 HMGCR (0.82) HMGCR
SCHEMBL10437639 0.86 HMGCR (0.82) HMGCR
SCHEMBL9726760 0.80 HMGCR (0.68) HMGCR
SCHEMBL9726842 0.80 HMGCR (0.68) HMGCR
SCHEMBL9726845 0.80 HMGCR (0.68) 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-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