SCHEMBL10437579

SCHEMBL10437579

O=C(O)CC(=O)CC(O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnnc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.53
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL10437581 1.00 HMGCR (0.53) HMGCRALDH1A1HPGDHSD11B1HDAC6
SCHEMBL9769858 0.90 HMGCR (0.51) HMGCRALDH1A1HPGD
SCHEMBL9769851 0.90 HMGCR (0.51) HMGCRALDH1A1HPGD
SCHEMBL9769865 0.88 HMGCR (0.68) HMGCRALDH1A1HPGD
SCHEMBL9769870 0.88 HMGCR (0.68) HMGCRALDH1A1HPGD
SCHEMBL9769879 0.83 HMGCR (0.77) HMGCR
SCHEMBL9769883 0.83 HMGCR (0.77) HMGCR
SCHEMBL9769919 0.81 HMGCR (0.61) HMGCR
SCHEMBL9769922 0.81 HMGCR (0.61) HMGCR
SCHEMBL9726562 0.77 HMGCR (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355820-A1 Antihypercholesterolemic tetrazol-1-yl compounds Bristol-Myers Squibb Company (US) 1990-02-28 EP disclosed