SCHEMBL5050393

SCHEMBL5050393

NCCOB(c1ccccc1)c1ccc(CC(Cc2ccccc2B(OCCN)c2ccccc2)OC(Cc2ccc(B(OCCN)c3ccccc3)cc2)Cc2ccccc2B(OCCN)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
TRPM2 O94759 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LYPLA1 O75608 1/20 0.37
LYPLA2 O95372 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1554878 0.90 ALDH1A1 (0.67) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL12266174 0.79 TSHR (0.58) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL5050395 0.77 ALDH1A1 (0.52) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL2400841 0.77 HPGD (0.55) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL30966487 0.76 HPGD (0.66) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL12270752 0.75 KDM4E (0.81) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL2412888 0.75 KDM4E (0.96) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL12270781 0.74 HPGD (0.64) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL1555869 0.74 HPGD (0.64) HPGDKDM4EMEN1TRPM2ALDH1A1
SCHEMBL341835 0.73 KDM4E (1.00) HPGDKDM4EMEN1TRPM2ALDH1A1

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-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP disclosed