SCHEMBL7789338

SCHEMBL7789338

CC(NC(c1ccccc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 3/20 0.45
ALDH1A1 P00352 1/20 0.40
MAPKAPK2 P49137 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PDE2A O00408 1/20 0.36
CDC25B P30305 1/20 0.35
LMNA P02545 1/20 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
Hydrochloric Acid SCHEMBL7780764 0.99 RCE1 (0.47) RCE1ALDH1A1MAPKAPK2L3MBTL1GRIN2D
SCHEMBL7787509 0.93 RCE1 (0.40) RCE1ALDH1A1MAPKAPK2GRIN2DGRIN3B
SCHEMBL7780400 0.93 RCE1 (0.40) RCE1ALDH1A1MAPKAPK2GRIN2DGRIN3B
SCHEMBL7780580 0.93 RCE1 (0.40) RCE1ALDH1A1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL7785684 0.93 RCE1 (0.42) RCE1ALDH1A1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL7787883 0.92 RCE1 (0.41) RCE1ALDH1A1MAPKAPK2GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL7785319 0.92 RCE1 (0.41) RCE1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7789329 0.92 MEN1 (0.40) RCE1ALDH1A1MAPKAPK2CDC25BLMNA
SCHEMBL7789161 0.92 MEN1 (0.40) RCE1ALDH1A1MAPKAPK2CDC25BLMNA
SCHEMBL7789354 0.87 MAPKAPK2 (0.45) MAPKAPK2

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed