SCHEMBL9857153

SCHEMBL9857153

Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C/C=C/C(O)CC(O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 17/20 0.50
FAAH O00519 3/20 0.47

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
SCHEMBL9857163 1.00 HMGCR (0.50) HMGCRFAAH
SCHEMBL9856835 0.82 HMGCR (0.70) HMGCR
SCHEMBL9856831 0.82 HMGCR (0.70) HMGCR
SCHEMBL9856979 0.81 HMGCR (0.45) HMGCR
SCHEMBL9856973 0.81 HMGCR (0.45) HMGCR
SCHEMBL9857442 0.80 FAAH (0.54) HMGCRFAAH
SCHEMBL9857418 0.79 HMGCR (0.74) HMGCR
SCHEMBL9857421 0.79 HMGCR (0.74) HMGCR
SCHEMBL9856817 0.78 HMGCR (0.75) HMGCR
SCHEMBL9856821 0.78 HMGCR (0.75) 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
EP-0436851-A1 Compounds active as inhibitors of the enzyme HMG-CoA reductase and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1991-07-17 EP disclosed