SCHEMBL8953274

SCHEMBL8953274

CC(C)c1nc(C(c2ccccc2)c2ccccc2)cc(-c2ccc(F)cc2)c1C#CCO[PH](=O)C[C@@H](O)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 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
SCHEMBL8953283 1.00 HMGCR (0.38) HMGCR
SCHEMBL8952963 0.92 HMGCR (0.39) HMGCR
SCHEMBL8952967 0.92 HMGCR (0.39) HMGCR
SCHEMBL8953118 0.89 HMGCR (0.41) HMGCR
SCHEMBL8953125 0.89 HMGCR (0.41) HMGCR
SCHEMBL8953319 0.88
SCHEMBL8953329 0.88
SCHEMBL8952734 0.88 HMGCR (0.38) HMGCR
SCHEMBL8952740 0.88 HMGCR (0.38) HMGCR
SCHEMBL8953054 0.86 HMGCR (0.38) 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-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed