SCHEMBL7603846

SCHEMBL7603846

COc1ccc(C(NC(CCCCN)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.50
KCNH2 Q12809 1/20 0.50
CPB2 Q96IY4 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
FPR2 P25090 1/20 0.40
ANPEP P15144 1/20 0.40
EPOR P19235 1/20 0.40
TLR2 O60603 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL17274480 1.00 KIF11 (0.50) KIF11KCNH2CPB2MMP2MMP9
SCHEMBL29422004 0.89 MMP2 (0.52) KIF11CPB2MMP2MMP9TLR2
SCHEMBL30100119 0.88 FPR2 (0.50) CPB2ITGB3ITGA2BFPR2
SCHEMBL1268928 0.86 KIF11 (0.47) KIF11MMP2MMP9TLR2
SCHEMBL7593135 0.85 MMP9 (0.47) CPB2MMP2MMP9ANPEPTLR2
SCHEMBL29964734 0.84 KIF11 (0.50) KIF11MMP2MMP9FPR2
SCHEMBL28326846 0.84 KIF11 (0.50) KIF11FPR2
SCHEMBL20191077 0.84 MMP2 (0.42) KIF11CPB2MMP2MMP9ANPEP
SCHEMBL29964865 0.83 KIF11 (0.46) KIF11KCNH2ITGB3ITGA2B
SCHEMBL30167975 0.83 PTPN1 (0.45) PRSS1PRSS2PRSS3FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624377-B1 Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 2002-01-23 EP claimed
EP-0624377-A2 Lysosomal enzyme-cleavable antitumor drug conjugates Bristol-Myers Squibb Company (US) 1994-11-17 EP claimed
EP-0624377-B1 Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 2002-01-23 EP disclosed
EP-0624377-A2 Lysosomal enzyme-cleavable antitumor drug conjugates Bristol-Myers Squibb Company (US) 1994-11-17 EP disclosed