SCHEMBL2650419

SCHEMBL2650419

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.41
PTGER1 P34995 3/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERN1 O75460 1/20 0.38
BRD4 O60885 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2648334 0.91 PTGER1 (0.45) PPIAPTGER1PTGER4PTGER3PTGER2
SCHEMBL2650231 0.91 PPIA (0.40) PPIAPTGER1PTGER4PTGER3PTGER2
SCHEMBL2650233 0.91 PPIA (0.40) PPIAPTGER1PTGER4PTGER3PTGER2
SCHEMBL2647675 0.80 GCGR (0.47) BRD4
SCHEMBL2648110 0.79 LDHA (0.40) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL2648920 0.77 LMNA (0.54) MCL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2647789 0.75 GCGR (0.55) ALDH1A1L3MBTL1
SCHEMBL2649451 0.73 LMNA (0.44) MCL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2647297 0.73 LMNA (0.44) MCL1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2654624 0.73 GCGR (0.49)

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-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