SCHEMBL8867690

SCHEMBL8867690

COC(=O)C[C@H](O)CP(=O)(O)CCc1c(-c2ccc(F)cc2)nn(-c2ccccc2)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL6944885 0.91 HMGCR (0.42) HMGCR
SCHEMBL6944896 0.91 HMGCR (0.42) HMGCR
SCHEMBL6944852 0.85 HMGCR (0.41) HMGCR
SCHEMBL6950724 0.76 HMGCR (0.61) HMGCR
SCHEMBL6950716 0.76 HMGCR (0.61) HMGCR
SCHEMBL10637080 0.75 HMGCR (0.60) HMGCR
SCHEMBL10638138 0.74 HMGCR (0.50) HMGCRALDH1A1
SCHEMBL10638130 0.74 HMGCR (0.50) HMGCRALDH1A1
SCHEMBL6944927 0.73 HMGCR (0.41) HMGCR
SCHEMBL6944933 0.73 HMGCR (0.41) 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
US-5622985-A Method for preventing a second heart attack employing an HMG CoA reductase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-22 US disclosed