SCHEMBL2649909

SCHEMBL2649909

CCCC=Cc1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
CYP3A4 P08684 1/20 0.37
PTBP1 P26599 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GCGR P47871 2/20 0.35

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
SCHEMBL2648338 0.90 GCGR (0.46) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2647426 0.90 SLC10A2 (0.42) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2647427 0.90 SLC10A2 (0.42) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2648215 0.88 MAPT (0.48) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2648214 0.88 MAPT (0.48) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2649051 0.88 MAPT (0.45) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2647468 0.88 SLC10A2 (0.44) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2647466 0.88 SLC10A2 (0.44) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2647505 0.85 SLC10A2 (0.45) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2647508 0.85 SLC10A2 (0.45) SLC10A2SMN1; SMN2ALDH1A1LMNAHPGD

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