SCHEMBL10065486

SCHEMBL10065486

CC1=C(C)C(=O)N(c2cc(N3C(=O)C(C)=C(C)C3=O)c(C(=O)O)cc2C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.38
MYC P01106 6/20 0.37
ALDH1A1 P00352 2/20 0.37
PTPN1 P18031 1/20 0.37
NR4A1 P22736 2/20 0.36
ESR1 P03372 2/20 0.36
PARP1 P09874 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ESR2 Q92731 1/20 0.36
NOTUM Q6P988 2/20 0.35
ALOX15 P16050 1/20 0.34
PTPN7 P35236 1/20 0.34
TYMS P04818 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL11443337 0.85 MYC (0.39) GAAKDM4EHSD17B10HPGDAPEX1
SCHEMBL15373312 0.80 POLB (0.39) KDM4EAPEX1MYCALDH1A1PTPN1
SCHEMBL11431177 0.77 MYC (0.35) GAAKDM4EHSD17B10HPGDAPEX1
SCHEMBL11994205 0.77 MYC (0.38) GAAAPEX1MYCALDH1A1PTPN1
SCHEMBL10065488 0.76 PIM3 (0.49) KDM4EAPEX1MYCALDH1A1NR4A1
SCHEMBL8889877 0.73 MYC (0.58) GAAAPEX1MYCALDH1A1NR4A1
Hydrochloric Acid SCHEMBL7461209 0.71 MYC (0.56) GAAKDM4EAPEX1MYCALDH1A1
SCHEMBL11427999 0.71 MYC (0.41) GAAHPGDAPEX1MYCALDH1A1
SCHEMBL24938795 0.70 NPSR1 (0.54) KDM4EAPEX1MYCALDH1A1NR4A1
SCHEMBL10421287 0.69 NOTUM (0.39) APEX1MYCALDH1A1NR4A1NOTUM

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