SCHEMBL8098189

SCHEMBL8098189

CCOC12CCC(c3ccc(C(=O)NC(CCCN)OBOC(CCCN)NC(=O)c4ccc(C56CCC(OCC)(CC5)CC6)cc4)cc3)(CC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
HPGDS O60760 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ERAP2 Q6P179 2/20 0.31
LNPEP Q9UIQ6 1/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL8098190 0.93 CTSB (0.32) CTSBTAS1R3TAS1R1HPGDSL3MBTL1
SCHEMBL8091555 0.90 CTSB (0.33) CTSBTAS1R3TAS1R1HPGDSL3MBTL1
SCHEMBL8091585 0.87 SPHK1 (0.31)
SCHEMBL8083495 0.86 CTSB (0.35) CTSBHPGDS
SCHEMBL8090208 0.86 CTSB (0.33) CTSBHPGDSL3MBTL1ERAP2
SCHEMBL8083595 0.85 CTSB (0.34) CTSBHPGDS
SCHEMBL8097864 0.84 CTSB (0.35) CTSBHPGDS
SCHEMBL8091556 0.83 CTSB (0.33) CTSBTAS1R3TAS1R1HPGDSL3MBTL1
SCHEMBL8091492 0.82 CTSB (0.38) CTSBHPGDSERAP2LNPEPERAP1
SCHEMBL8091591 0.81 SPHK1 (0.31)

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