SCHEMBL8880484

SCHEMBL8880484

Cc1c(-c2ccccc2)nc(C(C)C)c(C(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.53
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
PDE10A Q9Y233 2/20 0.48
TSHR P16473 1/20 0.46
DHFR P00374 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46
GCGR P47871 2/20 0.45

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
SCHEMBL8876019 0.90 FABP3 (0.51) DHODHFABP3FABP4FABP5GCGR
SCHEMBL8879687 0.89 FABP3 (0.50) DHODHFABP3FABP4FABP5GCGR
SCHEMBL8879109 0.88 FABP3 (0.49) DHODHFABP3FABP4FABP5GCGR
SCHEMBL8879628 0.85 DHODH (0.55) DHODHFABP3FABP4FABP5GCGR
Methane SCHEMBL8877749 0.83 GCGR (0.50) DHODHGCGR
SCHEMBL2651071 0.82 GCGR (0.56) FABP3FABP4FABP5GCGR
SCHEMBL8879084 0.81 DHODH (0.42) DHODHGCGR
SCHEMBL27293870 0.80 GCGR (0.49) FABP3FABP4FABP5GCGR
SCHEMBL8877956 0.80 DHODH (0.53) DHODHFABP3FABP4FABP5PDE10A
SCHEMBL8879706 0.80 GCGR (0.44) DHODHGCGR

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-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
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed