SCHEMBL10065488

SCHEMBL10065488

CC1=C(C)C(=O)N(c2ccc(C(=O)O)c(N3C(=O)C(C)=C(C)C3=O)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.49
HIPK4 Q8NE63 1/20 0.49
SCN2A Q99250 1/20 0.49
PARP1 P09874 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
TYMS P04818 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MYC P01106 5/20 0.41
DUSP3 P51452 2/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
ELANE P08246 1/20 0.41
MMP9 P14780 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NR4A1 P22736 1/20 0.41

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
SCHEMBL10932335 0.86 PIM3 (0.51) PIM3HIPK4SCN2APARP1PARP15
SCHEMBL24938795 0.85 NPSR1 (0.54) PIM3HIPK4SCN2APARP1PARP15
SCHEMBL24939840 0.83 PIM3 (0.69) PIM3HIPK4SCN2APARP1PARP15
SCHEMBL24939814 0.82 PIM3 (0.48) PIM3HIPK4SCN2APARP1PARP15
SCHEMBL24939851 0.82 MYC (0.62) PIM3HIPK4SCN2APARP1PARP15
SCHEMBL9308287 0.80 PKM (0.61) PIM3HIPK4SCN2APARP1PARP15
SCHEMBL24939828 0.80 ALDH1A1 (0.51) PIM3HIPK4SCN2APARP1PARP15
SCHEMBL11443337 0.79 MYC (0.39) PARP1PARP15PARP10KDM4EALDH1A1
SCHEMBL8889877 0.77 MYC (0.58) ALDH1A1NPSR1MYCNR4A1APEX1
SCHEMBL10065486 0.76 GAA (0.41) PARP1PARP15PARP10TYMSKDM4E

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
US-9284461-B2 Aqueous ink composition, inkjet recording method, and inkjet printed article FUJIFILM CORPORATION (JP) 2016-03-15 US disclosed
US-20120052256-A1 AQUEOUS INK COMPOSITION, INKJET RECORDING METHOD, AND INKJET PRINTED ARTICLE FUJIFILM CORPORATION (JP) 2012-03-01 US disclosed