SCHEMBL8091556

SCHEMBL8091556

COC12CCC(c3ccc(C(=O)N[C@@H](CCCN)OBO)cc3)(CC1)CC2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CCR1 P32246 1/20 0.32
ERAP2 Q6P179 3/20 0.31
LNPEP Q9UIQ6 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
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
SCHEMBL8091555 0.93 CTSB (0.33) CTSBL3MBTL1CCR1ERAP2LNPEP
SCHEMBL8098190 0.90 CTSB (0.32) CTSBL3MBTL1ERAP2LNPEPTAS1R3
SCHEMBL8091681 0.90 L3MBTL1 (0.32) L3MBTL1CCR1TAS1R3TAS1R1ALDH1A1
SCHEMBL8083597 0.89 L3MBTL1 (0.31) L3MBTL1CCR1TAS1R3TAS1R1POLB
SCHEMBL8083498 0.89 CTSB (0.34) CTSBHPGDS
SCHEMBL8090201 0.88 TAS1R3 (0.33) ERAP2LNPEPTAS1R3TAS1R1ERAP1
SCHEMBL8090211 0.88 CTSB (0.33) CTSBCCR1ERAP2HPGDS
SCHEMBL8083599 0.88 CTSB (0.34) CTSBHPGDS
SCHEMBL8090092 0.87 NPY4R (0.31) ALDH1A1
SCHEMBL8097871 0.86 CTSB (0.34) CTSBHPGDS

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