SCHEMBL3628093

SCHEMBL3628093

CC1(C)OB(c2c3ccccc3nn2C2CCCO2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ATM Q13315 2/20 0.31
HTT P42858 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL29005634 0.79 CNR1 (0.36) GAAKDM4ETSHRMEN1KMT2A
SCHEMBL29363943 0.75 DGAT2 (0.36) GAACNR1CNR2
SCHEMBL22258227 0.75 DGAT2 (0.36) GAACNR1CNR2
SCHEMBL476893 0.74
SCHEMBL26135051 0.73 IDO1 (0.38) GAA
SCHEMBL29048976 0.73 ALDH1A1 (0.43) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL25657282 0.72 POLB (0.36) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL476859 0.71 ABL1 (0.30)
SCHEMBL26134842 0.71 IDO1 (0.35)
SCHEMBL29005509 0.71 RET (0.33) GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed