SCHEMBL8877489

SCHEMBL8877489

C=CC(C(=O)O)([PH](=O)O)C(C)(O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.42
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SQOR Q9Y6N5 1/20 0.33

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
SCHEMBL8877066 0.90 HMGCR (0.41) HMGCRMAPTKDM4EALDH1A1LMNA
SCHEMBL8876821 0.90 HMGCR (0.37) HMGCR
SCHEMBL8877876 0.88 HMGCR (0.43) HMGCRSQOR
SCHEMBL8877553 0.85 HMGCR (0.42) HMGCRMAPTKDM4EALDH1A1HPGD
SCHEMBL8879125 0.83 HMGCR (0.43) HMGCRMAPTKDM4EALDH1A1LMNA
SCHEMBL8622337 0.82 GCGR (0.34)
SCHEMBL8878780 0.82 HMGCR (0.41) HMGCRMAPTKDM4EALDH1A1LMNA
SCHEMBL8877663 0.82 GCGR (0.35) HMGCRMAPTALDH1A1NPSR1
SCHEMBL8878839 0.81 GCGR (0.39) HMGCR
SCHEMBL8876157 0.81 HMGCR (0.36) 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