SCHEMBL8878313

SCHEMBL8878313

C#CC(C(=O)Oc1c(-c2ccc(F)c(C)c2)cc(-c2ccccc2)nc1C(C)C)(C(C)O)[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.32
KMT2A Q03164 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
MEN1 O00255 1/20 0.30
SRC P12931 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
SCHEMBL8900180 0.92 KMT2A (0.32) HMGCRKMT2A
SCHEMBL8878790 0.90 HMGCR (0.38) HMGCRKMT2A
SCHEMBL8879682 0.87 LMNA (0.31) KMT2AMEN1
SCHEMBL8878253 0.87 HMGCR (0.33) HMGCRKMT2AMEN1
SCHEMBL8877788 0.85 PRNP (0.32) HMGCR
SCHEMBL8877833 0.84 HMGCR (0.32) HMGCR
SCHEMBL8878156 0.82 HMGCR (0.35) HMGCR
SCHEMBL8877684 0.80 GCGR (0.32) HMGCR
SCHEMBL8878305 0.80 HMGCR (0.33) HMGCR
SCHEMBL8877175 0.80 PPARG (0.33) AKR1C3AKR1C2

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