SCHEMBL8091495

SCHEMBL8091495

NCCCC[C@H](NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1)OBO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.37
HPGDS O60760 1/20 0.34
ERAP2 Q6P179 3/20 0.32
LNPEP Q9UIQ6 3/20 0.32
ERAP1 Q9NZ08 1/20 0.31
CTSL P07711 1/20 0.31
CTSK P43235 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL8083599 0.97 CTSB (0.34) CTSBHPGDS
SCHEMBL8091492 0.93 CTSB (0.38) CTSBHPGDSERAP2LNPEPERAP1
SCHEMBL8083595 0.89 CTSB (0.34) CTSBHPGDS
SCHEMBL8090118 0.88
SCHEMBL8083498 0.87 CTSB (0.34) CTSBHPGDS
SCHEMBL8091406 0.86 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8091550 0.85 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL8097871 0.85 CTSB (0.34) CTSBHPGDSCTSLCTSK
SCHEMBL8091556 0.84 CTSB (0.33) CTSBHPGDSERAP2LNPEPERAP1
SCHEMBL8090211 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