SCHEMBL8485286

SCHEMBL8485286

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
PADI1 Q9ULC6 5/20 0.46
PADI4 Q9UM07 5/20 0.46
PADI3 Q9ULW8 4/20 0.46
HPGDS O60760 3/20 0.44
TERT O14746 2/20 0.43
PADI2 Q9Y2J8 3/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PADI6 Q6TGC4 1/20 0.41
CAPN1 P07384 2/20 0.40
CTSB P07858 2/20 0.40
CA2 P00918 1/20 0.38

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
SCHEMBL8487988 1.00 ALOX5 (0.50) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8485159 0.96 ALOX5 (0.52) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8487272 0.96 ALOX5 (0.52) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8487481 0.93 ALOX5 (0.48) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8488988 0.93 ALOX5 (0.48) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8484533 0.86 ALOX5 (0.64) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8487544 0.85 ALOX5 (0.70) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL21579767 0.84 TAS1R3 (0.49) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8487894 0.84 ALOX5 (0.47) ALOX5PADI1PADI4PADI3HPGDS
SCHEMBL8525308 0.84 ALOX5 (0.47) ALOX5PADI1PADI4PADI3HPGDS

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