SCHEMBL8091445

SCHEMBL8091445

COc1ccc(CNC(=O)C2(C(=O)NC(CCCNC(=N)N)OBOC(CCCNC(=N)N)NC(=O)C3(C(=O)NCc4ccc(OC)c(OC)c4)CCCC3)CCCC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
MAPK10 P53779 1/20 0.37
F2 P00734 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8091452 0.94 ALDH1A1 (0.43) ALDH1A1MAPK1LMNAATMKMT2A
SCHEMBL8083569 0.89 ALDH1A1 (0.46) ALDH1A1MAPK1LMNAATMKMT2A
SCHEMBL8095146 0.87 F2 (0.37) ATMEPHX2L3MBTL1F2
SCHEMBL8091524 0.86 F2 (0.37) ALDH1A1ATMEPHX2L3MBTL1F2
SCHEMBL8091528 0.85 F2 (0.37) ATMEPHX2L3MBTL1F2
SCHEMBL8083579 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1LMNAATMKMT2A
SCHEMBL8095448 0.83 MMP8 (0.38) ATMEPHX2L3MBTL1F2
SCHEMBL8091579 0.82 MTNR1A (0.41) ALDH1A1POLB
SCHEMBL8090174 0.80 F2 (0.39) KMT2AMEN1F2
SCHEMBL8095279 0.80 NPY4R (0.38)

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