SCHEMBL8487544

SCHEMBL8487544

NC(=O)[C@@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.70
HDAC7 Q8WUI4 1/20 0.46
NAAA Q02083 1/20 0.46
HPGDS O60760 2/20 0.45
PADI1 Q9ULC6 3/20 0.44
PADI3 Q9ULW8 3/20 0.44
PADI4 Q9UM07 3/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NLRP1 Q9C000 1/20 0.43
PADI2 Q9Y2J8 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL8484533 0.96 ALOX5 (0.64) ALOX5HDAC7NAAAHPGDSPADI1
SCHEMBL8487740 0.88 ALOX5 (0.67) ALOX5HDAC7NAAANPC1ALDH1A1
SCHEMBL3441243 0.88 ALOX5 (0.67) ALOX5HDAC7NAAANPC1ALDH1A1
SCHEMBL8485159 0.87 ALOX5 (0.52) ALOX5HPGDSPADI1PADI3PADI4
SCHEMBL8487272 0.87 ALOX5 (0.52) ALOX5HPGDSPADI1PADI3PADI4
SCHEMBL8487988 0.85 ALOX5 (0.50) ALOX5HPGDSPADI1PADI3PADI4
SCHEMBL8485286 0.85 ALOX5 (0.50) ALOX5HPGDSPADI1PADI3PADI4
SCHEMBL8485248 0.85 ALOX5 (0.63) ALOX5HDAC7NAAANPC1ALDH1A1
SCHEMBL8484730 0.85 ALOX5 (0.63) ALOX5HDAC7NAAANPC1ALDH1A1
SCHEMBL7668122 0.84 ALOX5 (0.64) ALOX5HDAC7NAAANPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO claimed
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO disclosed