SCHEMBL6327616

SCHEMBL6327616

CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)n2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 15/20 0.57
CYP2C9 P11712 3/20 0.57
SIRT6 Q8N6T7 2/20 0.57
TBXA2R P21731 2/20 0.57
ADRA1A P35348 2/20 0.57
NR4A2 P43354 2/20 0.57
PDE4D Q08499 2/20 0.57
ABCC3 O15438 1/20 0.57
ABCB11 O95342 1/20 0.57
PGR P06401 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
RXRA P19793 1/20 0.57
CCKAR P32238 1/20 0.57
PTGS2 P35354 1/20 0.57
SLC10A1 Q14973 1/20 0.57
NR1I2 O75469 1/20 0.49
ESR1 P03372 1/20 0.49
CHRM1 P11229 1/20 0.49
PDE4A P27815 1/20 0.49

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
SCHEMBL10679732 1.00 HMGCR (0.57) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL27635670 1.00 HMGCR (0.57) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL6241912 1.00 HMGCR (0.57) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10693357 0.89 HMGCR (0.46) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10696887 0.89 HMGCR (0.47) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10335170 0.83 HMGCR (0.53) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10335169 0.83 HMGCR (0.53) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL9753238 0.80 HMGCR (0.54) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10696309 0.80 HMGCR (0.39) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10637646 0.77 HMGCR (0.85) HMGCRCYP2C9SIRT6TBXA2RADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239884-A1 Compositions comprising hmg-coa reductase inhibitor MEYER ANDREAS 2005-10-27 US disclosed
EP-0547000-B1 Stabilized pharmaceutical compositions comprising an HMG-CoA reductase inhibitor compound NOVARTIS AG (CH) 2000-02-02 EP disclosed
US-5356896-A Alkaline stabiling medium SANDOZ LTD. (CH) 1994-10-18 US disclosed
EP-0547000-A1 Stabilized pharmaceutical compositions comprising an HMG-CoA reductase inhibitor compound SANDOZ LTD. (CH) 1993-06-16 EP disclosed