SCHEMBL8877882

SCHEMBL8877882

C=CC(C(=O)Oc1c(-c2ccc(F)cc2)cc(C(C)(C)C)nc1C(C)C)(C(C)O)[PH](=O)O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.40
SQOR Q9Y6N5 1/20 0.35
GCGR P47871 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
SCHEMBL8878710 0.91 HMGCR (0.39) HMGCRSQORGCGR
SCHEMBL8877505 0.87 HMGCR (0.40) HMGCRSQORGCGR
SCHEMBL8877739 0.84 HMGCR (0.41) HMGCRSQORGCGR
SCHEMBL8876998 0.82 HMGCR (0.38) HMGCRSQORGCGR
SCHEMBL8879127 0.78 HMGCR (0.40) HMGCRSQORGCGR
SCHEMBL8877078 0.78 HMGCR (0.39) HMGCRSQOR
SCHEMBL8877574 0.78 HMGCR (0.39) HMGCRGCGR
SCHEMBL8877411 0.78 HMGCR (0.40) HMGCRSQORGCGR
SCHEMBL8878963 0.77 SQOR (0.38) HMGCRSQORGCGR
SCHEMBL8876833 0.77 HMGCR (0.33) HMGCR

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