SCHEMBL13603880

SCHEMBL13603880

CC(C)(C)OC(=O)CN(CC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GSTO1 P78417 1/20 0.39
▸ AKT1 P31749 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 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
SCHEMBL7429558 0.86 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13332454 0.84 ALDH1A1 (0.43) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL28184171 0.81 GSTO1 (0.44) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL3841166 0.81 TDP1 (0.44) TDP1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL3838525 0.81 TDP1 (0.46) TDP1SMN1; SMN2KMT2ATSHRPLA2G2A
SCHEMBL202173 0.80 TDP1 (0.50) TDP1CYP2C19SMN1; SMN2MEN1CYP3A4
SCHEMBL6437793 0.80 MEN1 (0.42) TDP1CYP2C19SMN1; SMN2MEN1CYP3A4
SCHEMBL19208144 0.80 USP2 (0.46) CYP2C19SMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL4517708 0.79 SMN1; SMN2 (0.53) TDP1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL2627803 0.78 ALDH1A1 (0.51) CYP3A4TSHRMTNR1AMTNR1BCASR

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 8 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-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-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-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
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
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