SCHEMBL16972711

SCHEMBL16972711

NC(=O)CC[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.50
PTPN1 P18031 2/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PTGS1 P23219 3/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
XIAP P98170 1/20 0.49
ALOX15 P16050 4/20 0.49
PMP22 Q01453 2/20 0.49
KMT2A Q03164 2/20 0.49
BLM P54132 1/20 0.49
TPH1 P17752 2/20 0.47
GRB2 P62993 1/20 0.43
HIF1A Q16665 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 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
SCHEMBL1537414 1.00 SLC7A5 (0.50) SLC7A5PTPN1ITGB3ITGA2BPTGS1
Tyrosine SCHEMBL8392469 0.95 SLC7A5 (0.60) SLC7A5PTPN1ITGB3ITGA2BPTGS1
Glutamine SCHEMBL8134265 0.92 ALOX15 (0.47) SLC7A5PTPN1ITGB3ITGA2BPTGS1
SCHEMBL6046921 0.90 SLC7A5 (0.51) SLC7A5PTPN1ITGB3ITGA2BPTGS1
SCHEMBL9346887 0.90 SLC7A5 (0.51) SLC7A5PTPN1ITGB3ITGA2BPTGS1
Lysine SCHEMBL5358311 0.87 ITGB3 (0.52) SLC7A5PTPN1ITGB3ITGA2BPTGS1
Lysine SCHEMBL4610451 0.87 ITGB3 (0.52) SLC7A5PTPN1ITGB3ITGA2BPTGS1
SCHEMBL6519873 0.86 SLC7A5 (0.53) SLC7A5PTPN1ITGB3ITGA2BPTGS1
Asparagine SCHEMBL7758514 0.84 SLC7A5 (0.51) SLC7A5PTPN1ITGB3ITGA2BPTGS1
Cysteine SCHEMBL29288515 0.84 PTPN1 (0.46) SLC7A5PTPN1ITGB3ITGA2BPTGS1

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-3102611-A1 HUMANIZED BETA-AMYLOID BINDING MOLECULES AND USES THEREOF Cangene Corporation (CA) 2016-12-14 EP disclosed
WO-2015113169-A1 HUMANIZED BETA-AMYLOID BINDING MOLECULES AND USES THEREOF CNJ HOLDINGS, INC. (CA) 2015-08-06 WO disclosed