SCHEMBL8083595

SCHEMBL8083595

NCCCC(NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1)OBOC(CCCN)NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.34
HPGDS O60760 1/20 0.31
DHFR P00374 2/20 0.30
FPGS Q05932 2/20 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
SCHEMBL8091492 0.97 CTSB (0.38) CTSBHPGDS
SCHEMBL8083599 0.93 CTSB (0.34) CTSBHPGDSDHFRFPGS
SCHEMBL8083495 0.90 CTSB (0.35) CTSBHPGDS
SCHEMBL8090117 0.89
SCHEMBL8097864 0.88 CTSB (0.35) CTSBHPGDS
SCHEMBL8091555 0.87 CTSB (0.33) CTSBHPGDS
SCHEMBL8090208 0.87 CTSB (0.33) CTSBHPGDS
SCHEMBL8091545 0.86 ITGB3 (0.31)
SCHEMBL8098189 0.85 CTSB (0.32) CTSBHPGDS
SCHEMBL8091403 0.85 ITGB3 (0.34)

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