SCHEMBL8091492

SCHEMBL8091492

NCCCCC(NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1)OBOC(CCCCN)NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.38
HPGDS O60760 1/20 0.35
ERAP2 Q6P179 4/20 0.32
LNPEP Q9UIQ6 4/20 0.32
ERAP1 Q9NZ08 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8083595 0.97 CTSB (0.34) CTSBHPGDS
SCHEMBL8091495 0.93 CTSB (0.37) CTSBHPGDSERAP2LNPEPERAP1
SCHEMBL8083599 0.89 CTSB (0.34) CTSBHPGDS
SCHEMBL8090117 0.88
SCHEMBL8083495 0.87 CTSB (0.35) CTSBHPGDS
SCHEMBL8091403 0.86 ITGB3 (0.34) ITGB3ITGA2BCA1CA2
SCHEMBL8091545 0.85 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL8097864 0.85 CTSB (0.35) CTSBHPGDSCTSLCTSK
SCHEMBL8091555 0.84 CTSB (0.33) CTSBHPGDSERAP2LNPEPERAP1
SCHEMBL8090208 0.84 CTSB (0.33) CTSBHPGDSERAP2

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed