SCHEMBL21697889

SCHEMBL21697889

CC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.40
PRSS1 P07477 2/20 0.40
ABCB1 P08183 2/20 0.40
ITGB1 P05556 2/20 0.36
ITGA5 P08648 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.35
PLG P00747 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL25859740 1.00 TPSAB1 (0.40) TPSAB1PRSS1ABCB1ITGB1ITGA5
SCHEMBL19478671 0.87 MMP2 (0.40) TPSAB1PRSS1ABCB1ALDH1A1LMNA
SCHEMBL23220190 0.84 ABCB1 (0.42) TPSAB1PRSS1ABCB1ITGB1ITGA5
SCHEMBL21952369 0.80 ABCB1 (0.44) TPSAB1PRSS1ABCB1ITGB1ITGA5
SCHEMBL24040106 0.80 CTSB (0.40) TPSAB1PRSS1ABCB1ITGB1ITGA5
SCHEMBL25100408 0.80 ABCB1 (0.39) TPSAB1PRSS1ABCB1ITGB1ITGA5
SCHEMBL22915323 0.79 PARP10 (0.41) TPSAB1PRSS1ABCB1ALDH1A1LMNA
SCHEMBL7794342 0.77 ABCB1 (0.50) ABCB1ALDH1A1KMT2AHPGDMAPK1
SCHEMBL24336897 0.76 MEN1 (0.47) TPSAB1PRSS1PLGALDH1A1LMNA
SCHEMBL19884607 0.76 TPSAB1 (0.41) TPSAB1PRSS1ABCB1PLGALDH1A1

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
EP-3682904-A1 SACCHARIDE DERIVATIVE OF A TOXIC PAYLOAD AND ANTIBODY CONJUGATES THEREOF Glykos Finland Oy (FI) 2020-07-22 EP disclosed
EP-3160513-B1 SACCHARIDE DERIVATIVE OF A TOXIC PAYLOAD AND ANTIBODY CONJUGATES THEREOF GLYKOS FINLAND OY (FI) 2020-02-12 EP disclosed