SCHEMBL2649487

SCHEMBL2649487

C=CCc1c(C)cc(C)c(C(C)=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
APP P05067 2/20 0.37
PTPN1 P18031 1/20 0.37
BACE1 P56817 1/20 0.37
MAOB P27338 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
PTBP1 P26599 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10750624 0.79 HSD17B10 (0.38) PTGESALOX5PTGS1PTGS2HPGD
SCHEMBL1933140 0.78 PTGES (0.58) PTGESALOX5PTGS1PTGS2APP
SCHEMBL21002168 0.77 GAA (0.40) KDM4EGAAGLAALOX5PTGS1
SCHEMBL660212 0.77 GAA (0.40) KDM4EGAAGLAALOX5PTGS1
SCHEMBL5844884 0.77 PTGES (0.36) KDM4EGAAGLAPTGESALOX5
SCHEMBL9028205 0.75 MAOB (0.38) KDM4EGAAGLAALOX5PTGS1
SCHEMBL2647665 0.74 GAA (0.38) GAAPTGS2HPGDSMN1; SMN2MEN1
SCHEMBL658062 0.74 GAA (0.38) KDM4EGAAGLAALOX5PTGS1
SCHEMBL8316943 0.72 GABRA1 (0.39) KDM4EGAAGLAALOX5PTGS1
SCHEMBL12151159 0.72 KDM4E (0.38) KDM4EGAAGLAPTGESALOX5

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 6 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
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US 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
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed