SCHEMBL10345295

SCHEMBL10345295

Cc1cc(-c2nc3ccccc3c(C(C)C)c2C#CO[PH](=O)C[C@@H](O)CC(=O)O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.40
CTSA P10619 3/20 0.38

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
SCHEMBL10345719 0.90 HMGCR (0.50) HMGCR
SCHEMBL8880612 0.86 HMGCR (0.39) HMGCRCTSA
SCHEMBL10345400 0.85 CTSA (0.34) HMGCRCTSA
SCHEMBL8953497 0.82
SCHEMBL8953516 0.82
SCHEMBL8953145 0.78 HMGCR (0.49) HMGCR
SCHEMBL8953146 0.78 HMGCR (0.49) HMGCR
SCHEMBL8880604 0.77 HMGCR (0.36) HMGCRCTSA
SCHEMBL10345348 0.76 NR4A2 (0.42) HMGCR
SCHEMBL10345393 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP claimed
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP disclosed