SCHEMBL8525308

SCHEMBL8525308

NC(=O)CC(NC(=O)c1cccc(O)c1O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.47
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
ITGAL P20701 2/20 0.47
TERT O14746 2/20 0.46
HPGDS O60760 1/20 0.46
SCN9A Q15858 1/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CAPN1 P07384 1/20 0.40
CTSB P07858 1/20 0.40
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PADI1 Q9ULC6 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
SCHEMBL8487894 1.00 ALOX5 (0.47) ALOX5ITGB2ICAM1ITGALTERT
SCHEMBL8487672 1.00 ALOX5 (0.47) ALOX5ITGB2ICAM1ITGALTERT
SCHEMBL8487481 0.85 ALOX5 (0.48) ALOX5TERTHPGDSCA2CA1
SCHEMBL8488988 0.85 ALOX5 (0.48) ALOX5TERTHPGDSCA2CA1
SCHEMBL8487988 0.84 ALOX5 (0.50) ALOX5TERTHPGDSCA2CAPN1
SCHEMBL8485286 0.84 ALOX5 (0.50) ALOX5TERTHPGDSCA2CAPN1
SCHEMBL8489543 0.84 ALOX5 (0.53) ALOX5TERTHPGDSCAPN1CTSB
SCHEMBL8487602 0.84 ALOX5 (0.53) ALOX5TERTHPGDSCAPN1CTSB
SCHEMBL8488358 0.84 ALOX5 (0.53) ALOX5TERTHPGDSCAPN1CTSB
SCHEMBL8487272 0.83 ALOX5 (0.52) ALOX5TERTHPGDSCAPN1CTSB

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 claimed