SCHEMBL22062348

SCHEMBL22062348

CCCCc1cc(C(=O)OC)cc(O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
NFKB1 P19838 1/20 0.61
GFER P55789 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
FUT7 Q11130 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ESR1 P03372 4/20 0.54
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
SERPINE1 P05121 3/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45

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
SCHEMBL13212709 0.92 KDM4E (0.52) XDHLMNAKDM4EPOLBGAA
SCHEMBL542667 0.82 KDM4E (0.55) XDHLMNAKDM4EPOLBGAA
SCHEMBL10366045 0.81 CA1 (0.57) XDHLMNAKDM4EPOLBL3MBTL1
Gallic Acid Methyl Ester SCHEMBL18585437 0.81 XDH (0.70) XDHLMNAKDM4EPOLBGAA
SCHEMBL5157109 0.78 ESR1 (0.62) XDHLMNAKDM4EPOLBGAA
Gallic Acid Methyl Ester SCHEMBL18585459 0.78 XDH (0.84) XDHLMNAKDM4EPOLBGAA
SCHEMBL3652625 0.78 ERAP2 (0.41) XDHLMNAKDM4EPOLBGAA
Gallic Acid Methyl Ester SCHEMBL39513 0.77 KDM4E (1.00) XDHLMNAKDM4EPOLBGAA
SCHEMBL10680744 0.77 ALDH1A1 (0.56) XDHLMNAKDM4EL3MBTL1ESR1
SCHEMBL28578497 0.76 MGLL (0.45) KDM4EESR1AKR1C4AKR1C3AKR1C2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676593-B2 Curable composition and cured product thereof KANEKA CORPORATION (JP) 2020-06-09 US disclosed