SCHEMBL9740333

SCHEMBL9740333

COC(=O)CC(O)CC(O)C=Cc1c(-c2ccc(F)c(C)c2)ccc2occ(C(C)C)c12

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.37

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
SCHEMBL9740330 1.00 HMGCR (0.37) HMGCR
SCHEMBL9740609 0.91 HMGCR (0.42) HMGCR
SCHEMBL9740605 0.91 HMGCR (0.42) HMGCR
SCHEMBL9738812 0.90
SCHEMBL9738819 0.90
SCHEMBL9739571 0.77 PTGS2 (0.34)
SCHEMBL9739575 0.77 PTGS2 (0.34)
SCHEMBL9744303 0.76 PTGS2 (0.37)
SCHEMBL9739431 0.75 HMGCR (0.41) HMGCR
SCHEMBL9739437 0.75 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-5110825-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A; anticholesterol, antilipemic, antiatherosclerotic SHIONOGI & CO., LTD. (JP) 1992-05-05 US disclosed