SCHEMBL7780400

SCHEMBL7780400

CC(NC(c1ccc(F)cc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 3/20 0.40
TEAD4 Q15561 2/20 0.37
MAPKAPK2 P49137 5/20 0.36
MAOA P21397 1/20 0.36
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MAPK14 Q16539 1/20 0.34
PPARG P37231 2/20 0.33
ALOX5 P09917 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL7787509 1.00 RCE1 (0.40) RCE1TEAD4MAPKAPK2MAOAPTGER4
Hydrochloric Acid SCHEMBL7787883 0.99 RCE1 (0.41) RCE1TEAD4MAPKAPK2MAOAPTGER4
SCHEMBL7789338 0.93 RCE1 (0.45) RCE1MAPKAPK2ALDH1A1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL7780764 0.92 RCE1 (0.47) RCE1MAPKAPK2ALDH1A1GRIN2DGRIN3B
SCHEMBL7780580 0.91 RCE1 (0.40) RCE1PTGER4ALDH1A1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL7785684 0.91 RCE1 (0.42) RCE1TEAD4PTGER4ALDH1A1GRIN2D
Hydrochloric Acid SCHEMBL7785319 0.90 RCE1 (0.41) RCE1PTGER4ALDH1A1GRIN2DGRIN3B
SCHEMBL7789161 0.89 MEN1 (0.40) RCE1MAPKAPK2ALDH1A1
SCHEMBL7789329 0.89 MEN1 (0.40) RCE1MAPKAPK2ALDH1A1
SCHEMBL7785292 0.87 MAPKAPK2 (0.45) TEAD4MAPKAPK2PTGER4MAPK14

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