SCHEMBL8083534

SCHEMBL8083534

COc1ccc(CCNC(=O)C2(C(=O)NCCCCNC(=N)N)CCCC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B1 P14061 1/20 0.52
HSD11B1 P28845 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.50
EPHX1 P07099 1/20 0.50
FPR3 P25089 1/20 0.50
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NAMPT P43490 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL8098230 0.87 SMN1; SMN2 (0.43) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL8098083 0.87 SMN1; SMN2 (0.43) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL8098018 0.86 MTNR1A (0.51) CA1CA2CA9ALDH1A1POLB
SCHEMBL7426657 0.83 HTT (0.43) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL2678930 0.82 KMT2A (0.72) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7426652 0.82 ALDH1A1 (0.43) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL8089921 0.82 MMP8 (0.48) CA12CA2CA9KMT2AMEN1
SCHEMBL8090095 0.82 KDM4E (0.44) SMN1; SMN2MAPT
SCHEMBL8091445 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1FPR3L3MBTL1
SCHEMBL8083610 0.77 MMP8 (0.54) KMT2AEPHX1L3MBTL1POLB

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 4 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 claimed
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 claimed
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