SCHEMBL2648416

SCHEMBL2648416

CCc1cc(CC)c(C(=O)OC)c(O)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA7 P43166 6/20 0.47
CA9 Q16790 6/20 0.47
CA14 Q9ULX7 6/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
XDH P47989 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
FUT7 Q11130 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 2/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL2647738 0.79 NR1H2 (0.39) NR1H2NR1H3GABRA1GABRB2
SCHEMBL28599428 0.79 CYP3A4 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28836551 0.76 CYP3A4 (0.65) CA12CA1CA2CA7CA9
SCHEMBL2655601 0.76 PTPN11 (0.46) CYP3A4ACHEMAPTGABRA1GABRB2
SCHEMBL11671459 0.75 KDM4E (0.61) CA12CA1CA2CA7CA9
SCHEMBL11316808 0.75 CNR2 (0.54)
SCHEMBL8987552 0.74 CYP3A4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL28151228 0.74 POLB (0.53) CA12CA1CA2CA7CA9
SCHEMBL2662948 0.74 CYP3A4 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2655594 0.73 GLRA3 (0.40) NR1H2NR1H3GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
CN-1239474-A Substituted pyridines and biphenyls as antihypercholesterolemic, antihyperlipidemic and antihyperglycemic agents BAYER AG (US) 1999-12-22 CN disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed