SCHEMBL8091565

SCHEMBL8091565

NCCC[C@H](NC(=O)C1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCC1)OBO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.38
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
C3AR1 Q16581 1/20 0.31
MME P08473 1/20 0.31
KMT2A Q03164 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 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
SCHEMBL8091564 0.93 CPB2 (0.39) CPB2HTR2AHRH1SLC1A2SLC1A1
SCHEMBL8098215 0.88 C3AR1 (0.37) CPB2C3AR1HTTSMN1; SMN2
SCHEMBL8095188 0.87 MMP8 (0.39) SMN1; SMN2
SCHEMBL8091670 0.86 MMP8 (0.38)
SCHEMBL8095467 0.85 CYP3A4 (0.38) KMT2A
SCHEMBL8090156 0.85 MMP8 (0.39) SMN1; SMN2
SCHEMBL8098091 0.84 MMP8 (0.43) MMEKMT2AEPHX2
SCHEMBL8095269 0.82 MMP1 (0.38) CPB2
SCHEMBL8098172 0.82 MME (0.31) MME
SCHEMBL8090100 0.81 USP2 (0.36) SMN1; SMN2

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