SCHEMBL8524879

SCHEMBL8524879

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
TERT O14746 1/20 0.43
FOLH1 Q04609 6/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
GAA P10253 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
SCHEMBL8487903 1.00 ALOX5 (0.47) ALOX5CA2CA1TERTFOLH1
SCHEMBL8489024 0.96 ALOX5 (0.49) ALOX5CA2CA1TERTFOLH1
SCHEMBL8489421 0.96 ALOX5 (0.49) ALOX5CA2CA1TERTFOLH1
SCHEMBL8487914 0.92 CA2 (0.52) ALOX5CA2CA1TERTFOLH1
SCHEMBL8670657 0.86 CA2 (0.54) ALOX5CA2TERTFOLH1KDM4E
SCHEMBL21579700 0.86 CA2 (0.54) ALOX5CA2TERTFOLH1KDM4E
SCHEMBL8488937 0.85 ALOX5 (0.64) ALOX5TERTFOLH1HPGD
SCHEMBL7668122 0.85 ALOX5 (0.64) ALOX5TERTFOLH1HPGD
SCHEMBL3441243 0.84 ALOX5 (0.67) ALOX5FOLH1HPGD
SCHEMBL8487740 0.84 ALOX5 (0.67) ALOX5FOLH1HPGD

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