SCHEMBL8488564

SCHEMBL8488564

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
ALOX5 P09917 2/20 0.47
TERT O14746 2/20 0.47
PYGL P06737 5/20 0.46
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PDE5A O76074 1/20 0.43
TMPRSS15 P98073 1/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL8485450 1.00 CA2 (0.50) CA2CA1ALOX5TERTPYGL
SCHEMBL31666111 0.89 KDM4E (0.54) CA2CA1PYGLGAAMAPT
SCHEMBL18277717 0.89 KDM4E (0.54) CA2CA1PYGLGAAMAPT
SCHEMBL18277718 0.89 KDM4E (0.54) CA2CA1PYGLGAAMAPT
SCHEMBL11247265 0.86 CA2 (0.50) CA2CA1ALOX5TERTITGB2
SCHEMBL407185 0.86 CA2 (0.50) CA2CA1ALOX5TERTITGB2
SCHEMBL407186 0.86 CA2 (0.50) CA2CA1ALOX5TERTITGB2
SCHEMBL8487914 0.85 CA2 (0.52) CA2CA1ALOX5TERTGAA
SCHEMBL8487702 0.83 ALOX5 (0.54) ALOX5TERTITGB2ICAM1ITGAL
SCHEMBL8488000 0.83 ALOX5 (0.54) ALOX5TERTITGB2ICAM1ITGAL

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