SCHEMBL2650233

SCHEMBL2650233

CC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.40
PTGER1 P34995 3/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 2/20 0.37

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
SCHEMBL2650231 1.00 PPIA (0.40) PPIAPTGER1PTGER4PTGER3PTGER2
SCHEMBL2650419 0.91 PPIA (0.41) PPIAPTGER1PTGER4PTGER3PTGER2
SCHEMBL2648334 0.89 PTGER1 (0.45) PPIAPTGER1PTGER4PTGER3PTGER2
SCHEMBL2650426 0.81 GCGR (0.43) PTGER1PTGER4PTGER3PTGER2MCL1
SCHEMBL2650428 0.79 BRD4 (0.37) PTGER1PTGER4PTGER3PTGER2MCL1
SCHEMBL2649451 0.76 LMNA (0.44) MEN1HSP90AA1KMT2AMCL1ALDH1A1
SCHEMBL2647297 0.76 LMNA (0.44) MEN1HSP90AA1KMT2AMCL1ALDH1A1
SCHEMBL2648920 0.75 LMNA (0.54) MEN1HSP90AA1KMT2AMCL1ALDH1A1
SCHEMBL2648908 0.74 MAPT (0.39) MEN1KMT2AMCL1ALDH1A1MAPT
SCHEMBL2648905 0.74 MAPT (0.39) MEN1KMT2AMCL1ALDH1A1MAPT

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 1 patent. 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