SCHEMBL8487481

SCHEMBL8487481

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.48
HPGDS O60760 3/20 0.47
TERT O14746 2/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
PADI1 Q9ULC6 1/20 0.42
PADI3 Q9ULW8 1/20 0.42
PADI4 Q9UM07 1/20 0.42
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
MMP12 P39900 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 2/20 0.40
PSMB2 P49721 2/20 0.40

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
SCHEMBL8488988 1.00 ALOX5 (0.48) ALOX5HPGDSTERTCA2CA1
SCHEMBL8485286 0.93 ALOX5 (0.50) ALOX5HPGDSTERTCA2PADI1
SCHEMBL8487988 0.93 ALOX5 (0.50) ALOX5HPGDSTERTCA2PADI1
SCHEMBL8487272 0.92 ALOX5 (0.52) ALOX5HPGDSTERTPADI1PADI3
SCHEMBL8485159 0.92 ALOX5 (0.52) ALOX5HPGDSTERTPADI1PADI3
SCHEMBL21579767 0.86 TAS1R3 (0.49) ALOX5HPGDSTERTPADI1PADI3
SCHEMBL8487894 0.85 ALOX5 (0.47) ALOX5HPGDSTERTCA2CA1
SCHEMBL8525308 0.85 ALOX5 (0.47) ALOX5HPGDSTERTCA2CA1
SCHEMBL8487672 0.85 ALOX5 (0.47) ALOX5HPGDSTERTCA2CA1
SCHEMBL8484533 0.82 ALOX5 (0.64) ALOX5HPGDSTERTPADI1PADI3

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