SCHEMBL8878253

SCHEMBL8878253

C#CC(C(=O)Oc1c(-c2ccc(F)cc2C)cc(-c2ccccc2)nc1C(C)C)(C(C)O)[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.33
DHODH Q02127 2/20 0.32
CTSA P10619 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8899819 0.92 HMGCR (0.32) HMGCRDHODHCTSA
SCHEMBL8878790 0.90 HMGCR (0.38) HMGCRKMT2AHPGD
SCHEMBL8878313 0.87 HMGCR (0.32) HMGCRMEN1KMT2A
SCHEMBL8879682 0.85 LMNA (0.31) MEN1KMT2A
SCHEMBL8877642 0.85 HMGCR (0.35) HMGCRDHODHCTSAPDE10AMEN1
SCHEMBL8877833 0.84 HMGCR (0.32) HMGCR
SCHEMBL8876833 0.84 HMGCR (0.33) HMGCRDHODHCTSA
SCHEMBL8878156 0.82 HMGCR (0.35) HMGCR
SCHEMBL8877802 0.80 HMGCR (0.39) HMGCRDHODHHPGD
SCHEMBL8877175 0.80 PPARG (0.33) HPGD

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
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed