SCHEMBL9308287

SCHEMBL9308287

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
CSNK2A1 P68400 1/20 0.53
PIM3 Q86V86 1/20 0.53
HIPK4 Q8NE63 1/20 0.53
SCN2A Q99250 1/20 0.53
MYC P01106 3/20 0.50
TYMS P04818 1/20 0.50
DUSP22 Q9NRW4 1/20 0.49
PARP1 P09874 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
MCL1 Q07820 4/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PTGS2 P35354 2/20 0.47
CA12 O43570 1/20 0.47
ALOX5 P09917 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL24939840 0.87 PIM3 (0.69) PKMPIM3HIPK4SCN2AMYC
SCHEMBL10932335 0.86 PIM3 (0.51) PKMPIM3HIPK4SCN2AMYC
SCHEMBL24938795 0.81 NPSR1 (0.54) PKMPIM3HIPK4SCN2AMYC
SCHEMBL10065488 0.80 PIM3 (0.49) PKMPIM3HIPK4SCN2AMYC
SCHEMBL9309327 0.80 PIM3 (0.49) PKMCSNK2A1PIM3HIPK4SCN2A
SCHEMBL15437835 0.80 PIM3 (0.56) PKMPIM3HIPK4SCN2AMYC
SCHEMBL11668068 0.79 PTGS2 (0.59) PKMCSNK2A1PIM3HIPK4SCN2A
SCHEMBL24939814 0.79 PIM3 (0.48) PKMPIM3HIPK4SCN2AMYC
SCHEMBL24939851 0.79 MYC (0.62) PKMPIM3HIPK4SCN2AMYC
SCHEMBL24939828 0.76 ALDH1A1 (0.51) PIM3HIPK4SCN2AMYCTYMS

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-5288694-A Herbicides BAYER ATKIENGESELLSCHAFT (DE) 1994-02-22 US disclosed
EP-0545167-A1 N-(4-hydroxyphenyl)-maleimides and N-(4-hydroxyphenyl)-tetrahydro-phthalimides and their use as herbicides BAYER AG (DE) 1993-06-09 EP disclosed