SCHEMBL8622337

SCHEMBL8622337

C=CC(C(=O)O)([PH](=O)O)C(C)(O)c1c(C(C)C)nc(-c2ccccc2)c(C)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.34
DHODH Q02127 2/20 0.34

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
SCHEMBL8878839 0.90 GCGR (0.39) GCGRDHODH
SCHEMBL8878405 0.86 DHODH (0.34) DHODH
SCHEMBL8877663 0.86 GCGR (0.35) GCGR
SCHEMBL8877560 0.85 PRKAA2 (0.37) DHODH
SCHEMBL8878285 0.83 GCGR (0.36) GCGR
SCHEMBL8877412 0.82 DHODH (0.34) GCGRDHODH
SCHEMBL8877489 0.82 HMGCR (0.42)
SCHEMBL8875665 0.81 GCGR (0.37) GCGRDHODH
SCHEMBL8877553 0.80 HMGCR (0.42) DHODH
SCHEMBL8877109 0.79 HMGCR (0.43) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
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