SCHEMBL9024612

SCHEMBL9024612

CCOC(=O)CC(=O)CC(O)C=Cc1c(-c2ccc(F)cc2)cn(S(=O)(=O)c2cccs2)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.43
PKM P14618 1/20 0.37
GPR183 P32249 1/20 0.36
KMT2A Q03164 1/20 0.33

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
SCHEMBL9024600 1.00 HMGCR (0.43) HMGCRPKMGPR183KMT2A
SCHEMBL9025064 0.82 HMGCR (0.57) HMGCR
SCHEMBL9025069 0.82 HMGCR (0.57) HMGCR
SCHEMBL9024104 0.76 PKM (0.39) HMGCRPKMGPR183KMT2A
SCHEMBL9024101 0.76 PKM (0.39) HMGCRPKMGPR183KMT2A
SCHEMBL9024469 0.74 PKM (0.38) HMGCRPKMGPR183KMT2A
SCHEMBL9518302 0.73 HMGCR (0.66) HMGCR
SCHEMBL9518920 0.73 HMGCR (0.67) HMGCR
SCHEMBL10398329 0.71 HMGCR (0.54) HMGCRKMT2A
SCHEMBL9521396 0.69 HMGCR (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464845-B1 Pyrrole derivatives SHIONOGI & CO (JP) 1996-06-05 EP disclosed
US-5128366-A Enzyme inhibitors, anticholesterol SHINOGI & CO., LTD. (JP) 1992-07-07 US disclosed