SCHEMBL6957283

SCHEMBL6957283

CCOC(=O)c1c(C(C)C)nc(C)c(C#N)c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GCGR P47871 1/20 0.50
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC10A2 Q12908 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42

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
SCHEMBL2648212 0.85 GCGR (0.62) ALDH1A1L3MBTL1GCGRKMT2AHTT
SCHEMBL6956758 0.83 ADORA3 (0.46) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL2649345 0.82 GCGR (0.67) ALDH1A1L3MBTL1GCGRHTTLMNA
SCHEMBL9737768 0.82 GCGR (0.64) ALDH1A1L3MBTL1GCGRKMT2AHTT
SCHEMBL6961553 0.82 ALDH1A1 (0.45) ALDH1A1L3MBTL1GCGRKMT2AHTT
SCHEMBL2647286 0.79 GCGR (0.79) GCGR
SCHEMBL2648227 0.79 GCGR (0.60) ALDH1A1L3MBTL1GCGRSLC10A2
SCHEMBL9384902 0.78 GCGR (0.47) ALDH1A1L3MBTL1GCGRKMT2AHTT
SCHEMBL9268564 0.78 GCGR (0.64) ALDH1A1L3MBTL1GCGR
SCHEMBL2662902 0.78 GCGR (0.55) ALDH1A1L3MBTL1GCGRKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325130-B1 Substituted pyridines BAYER AG (DE) 2003-11-05 EP disclosed
EP-1123925-A1 Process for preparation of substituted pyridines BAYER AG (DE) 2001-08-16 EP disclosed
EP-1123924-A1 Substituted pyridines as HMG-COA reductase inhibitors BAYER AG (DE) 2001-08-16 EP disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0325130-A2 Substituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed