SCHEMBL8875665

SCHEMBL8875665

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.37
DHODH Q02127 1/20 0.34
FABP4 P15090 2/20 0.33
ESR1 P03372 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 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
SCHEMBL8878839 0.91 GCGR (0.39) GCGRDHODHHMGCR
SCHEMBL8902214 0.87 GCGR (0.39) GCGRDHODHFABP4
SCHEMBL8878758 0.85 GCGR (0.34) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8876685 0.84 GCGR (0.37) GCGRDHODHFABP4
SCHEMBL8900797 0.82 ADORA3 (0.35) DHODHFABP4
SCHEMBL8877066 0.82 HMGCR (0.41) HMGCR
SCHEMBL8622337 0.81 GCGR (0.34) GCGRDHODH
SCHEMBL8878908 0.80 GCGR (0.41) GCGRDHODH
SCHEMBL8900007 0.78 DHODH (0.37) GCGRDHODH
SCHEMBL8876885 0.78 GCGR (0.39) GCGRDHODH

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