SCHEMBL13611429

SCHEMBL13611429

COC(=O)CN(CC(=O)O)c1nc(CO)cc(CO)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
PLA2G2A P14555 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 2/20 0.31
HIF1A Q16665 1/20 0.31
GSTO1 P78417 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
SCHEMBL14730616 0.84 ALDH1A1 (0.39) SMN1; SMN2TSHRALDH1A1KMT2AGSTO1
SCHEMBL13603870 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1KDM4EKMT2A
SCHEMBL1872067 0.77 ALDH1A1 (0.43) SMN1; SMN2TSHRALDH1A1KDM4EKMT2A
SCHEMBL13603869 0.76 TDP1 (0.39) SMN1; SMN2ALDH1A1KDM4EPLA2G2ABLM
SCHEMBL13611311 0.71 PLA2G2A (0.40) TSHRALDH1A1PLA2G2ABLM
SCHEMBL13611307 0.70 CYP4F2 (0.39) ALDH1A1KDM4EPLA2G2ABLM
SCHEMBL1873292 0.69 TDP1 (0.39) SMN1; SMN2TSHRALDH1A1KDM4EPLA2G2A
SCHEMBL3841166 0.68 TDP1 (0.44) SMN1; SMN2TSHRALDH1A1PLA2G2ABLM
SCHEMBL13603867 0.68 BCHE (0.39) TSHRALDH1A1KDM4EUSP2PLA2G2A
SCHEMBL13603838 0.68 PLA2G2A (0.42) HSP90AB1TSHRALDH1A1PLA2G2ABLM

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
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7582410-B2 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7416835-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-08-26 US disclosed
US-20080038663-A1 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2008-02-14 US disclosed