SCHEMBL6949280

SCHEMBL6949280

CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1C#CCO[PH](=O)CC(O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 0.50

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
SCHEMBL6949277 1.00 HMGCR (0.50) HMGCR
SCHEMBL10442264 0.89 HMGCR (0.51) HMGCR
SCHEMBL9441815 0.86 HMGCR (0.40) HMGCR
SCHEMBL9441812 0.86 HMGCR (0.40) HMGCR
SCHEMBL6944721 0.85 HMGCR (0.40) HMGCR
SCHEMBL6944717 0.85 HMGCR (0.40) HMGCR
SCHEMBL10442265 0.84 HMGCR (0.60) HMGCR
SCHEMBL6950761 0.83 HMGCR (0.58) HMGCR
SCHEMBL6950766 0.83 HMGCR (0.58) HMGCR
SCHEMBL10345248 0.81 NR4A2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738512-B1 Use of a HMG CoA reductase inhibitor to prevent a second heart attack BRISTOL MYERS SQUIBB CO (US) 2003-07-02 EP disclosed
EP-0738512-A1 Use of a HMG CoA reductase inhibitor to prevent a second heart attack BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-23 EP disclosed
US-5276021-A Anticholesterol or antilipemic agents E. R. SQUIBB & SONS, INC. (US) 1994-01-04 US disclosed
US-5091378-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-02-25 US disclosed