SCHEMBL7297597

SCHEMBL7297597

NCCCC[C@H](NC(=O)OCCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.55
ITGA2B P08514 5/20 0.55
ECE1 P42892 1/20 0.53
CTSK P43235 1/20 0.52
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51
PRSS1 P07477 6/20 0.50
PRSS2 P07478 6/20 0.50
PRSS3 P35030 6/20 0.50
TPSAB1 Q15661 6/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
F2 P00734 1/20 0.49
PLG P00747 1/20 0.49
KLKB1 P03952 1/20 0.49
ACE P12821 1/20 0.48
TLR2 O60603 1/20 0.47

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
SCHEMBL6476819 0.87 ITGB3 (0.66) ITGB3ITGA2BECE1PRSS1PRSS2
SCHEMBL287475 0.87 ITGB3 (0.66) ITGB3ITGA2BECE1PRSS1PRSS2
SCHEMBL287474 0.87 ITGB3 (0.66) ITGB3ITGA2BECE1PRSS1PRSS2
SCHEMBL15968143 0.87 ITGB3 (0.66) ITGB3ITGA2BECE1PRSS1PRSS2
SCHEMBL29733071 0.86 ITGB3 (0.65) ITGB3ITGA2BECE1PRSS1PRSS2
Hydrochloric Acid SCHEMBL21219335 0.86 ITGB3 (0.65) ITGB3ITGA2BECE1PRSS1PRSS2
Hydrochloric Acid SCHEMBL11310715 0.86 ITGB3 (0.65) ITGB3ITGA2BECE1PRSS1PRSS2
Hydrochloric Acid SCHEMBL4994643 0.86 ITGB3 (0.65) ITGB3ITGA2BECE1PRSS1PRSS2
Glycine SCHEMBL28708677 0.84 ITGB3 (0.62) ITGB3ITGA2BECE1PRSS1PRSS2
Monoethanolamine SCHEMBL9496843 0.84 ITGB3 (0.62) ITGB3ITGA2BECE1PRSS1PRSS2

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-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP disclosed