SCHEMBL9856979

SCHEMBL9856979

Cc1nc(-c2ccccc2)n(CC=CC(O)CC(O)CC(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 14/20 0.45
CYP2C9 P11712 3/20 0.39
SIRT6 Q8N6T7 2/20 0.39
ABCC3 O15438 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
RXRA P19793 1/20 0.39
TBXA2R P21731 1/20 0.39
CCKAR P32238 1/20 0.39
ADRA1A P35348 1/20 0.39
PTGS2 P35354 1/20 0.39
NR4A2 P43354 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC10A1 Q14973 1/20 0.39

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
SCHEMBL9856973 1.00 HMGCR (0.45) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9857153 0.81 HMGCR (0.50) HMGCR
SCHEMBL9857163 0.81 HMGCR (0.50) HMGCR
SCHEMBL9856840 0.79 HMGCR (0.54) HMGCRABCB11
SCHEMBL9856831 0.73 HMGCR (0.70) HMGCR
SCHEMBL9856835 0.73 HMGCR (0.70) HMGCR
SCHEMBL10513316 0.70 HMGCR (0.46) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL10513300 0.70 HMGCR (0.46) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9871199 0.70 HMGCR (0.46) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL10466201 0.69 HMGCR (0.46) HMGCRCYP2C9SIRT6ABCC3ABCB11

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