SCHEMBL13610482

SCHEMBL13610482

O=C(O)CCC(NC(=O)Oc1ccc(CO)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 5/20 0.49
FOLH1 Q04609 10/20 0.47
TMPRSS15 P98073 4/20 0.47
RIMKLA Q8IXN7 1/20 0.46
PRSS1 P07477 3/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1834431 0.85 NAALAD2 (0.56) NAALAD2FOLH1RIMKLAGAA
SCHEMBL5259353 0.85 NAALAD2 (0.56) NAALAD2FOLH1RIMKLAGAA
SCHEMBL4654148 0.84 FOLH1 (0.47) NAALAD2FOLH1TMPRSS15RIMKLAPRSS1
SCHEMBL4654152 0.84 FOLH1 (0.47) NAALAD2FOLH1TMPRSS15RIMKLAPRSS1
SCHEMBL13417040 0.81 NAALAD2 (0.43) NAALAD2FOLH1TMPRSS15RIMKLAPRSS1
SCHEMBL18476464 0.81 FOLH1 (0.52) NAALAD2FOLH1
SCHEMBL4652873 0.81 GAA (0.42) NAALAD2FOLH1TMPRSS15RIMKLAGAA
SCHEMBL4653834 0.81 GAA (0.42) NAALAD2FOLH1TMPRSS15RIMKLAGAA
SCHEMBL26915268 0.80 FOLH1 (0.50) NAALAD2FOLH1RIMKLAGAA
SCHEMBL8477195 0.80 FOLH1 (0.50) NAALAD2FOLH1RIMKLAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534670-B1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER REC TECH LTD (GB) 2009-12-02 EP disclosed
US-7235585-B2 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-26 US disclosed
US-7235585-B2 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-26 US disclosed