SCHEMBL13610353

SCHEMBL13610353

CCN(C(=O)OCc1ccc(NC(=O)NC(CCC(=O)O)C(=O)O)cc1)c1ccc(N(CCI)CCI)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.50
NAALAD2 Q9Y3Q0 2/20 0.42
CCKBR P32239 2/20 0.41
FPR2 P25090 1/20 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
SCHEMBL13610863 0.89 FOLH1 (0.49) FOLH1NAALAD2CCKBRFPR2
SCHEMBL4465270 0.89 FOLH1 (0.49) FOLH1NAALAD2CCKBRFPR2
SCHEMBL14497769 0.88 FOLH1 (0.46) FOLH1NAALAD2CCKBRFPR2
SCHEMBL14497678 0.82 FOLH1 (0.47) FOLH1NAALAD2CCKBRFPR2
SCHEMBL14497667 0.82 FOLH1 (0.53) FOLH1NAALAD2CCKBRFPR2
SCHEMBL4556926 0.81 FOLH1 (0.50) FOLH1NAALAD2CCKBRFPR2
SCHEMBL14497677 0.80 FOLH1 (0.49) FOLH1NAALAD2CCKBR
SCHEMBL14497681 0.80 FOLH1 (0.49) FOLH1NAALAD2CCKBRFPR2
SCHEMBL4464533 0.80 FOLH1 (0.49) FOLH1NAALAD2CCKBR
SCHEMBL4473167 0.80 FOLH1 (0.49) FOLH1NAALAD2CCKBRFPR2

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
EP-1534670-B1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER REC TECH LTD (GB) 2009-12-02 EP disclosed