SCHEMBL8090211

SCHEMBL8090211

CC(C)C12CCC(c3ccc(C(=O)N[C@@H](CCCN)OBO)cc3)(CC1)CC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.33
CCR1 P32246 2/20 0.31
ERAP2 Q6P179 1/20 0.31
HPGDS O60760 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
SCHEMBL8090208 0.93 CTSB (0.33) CTSBERAP2HPGDS
SCHEMBL8083498 0.89 CTSB (0.34) CTSBHPGDS
SCHEMBL8091556 0.88 CTSB (0.33) CTSBCCR1ERAP2HPGDS
SCHEMBL8083599 0.88 CTSB (0.34) CTSBHPGDS
SCHEMBL8083520 0.87 ITGB3 (0.33)
SCHEMBL8097871 0.86 CTSB (0.34) CTSBHPGDS
SCHEMBL8098190 0.86 CTSB (0.32) CTSBERAP2HPGDS
SCHEMBL8091495 0.84 CTSB (0.37) CTSBERAP2HPGDS
SCHEMBL8083495 0.81 CTSB (0.35) CTSBHPGDS
SCHEMBL8091555 0.80 CTSB (0.33) CTSBCCR1ERAP2HPGDS

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