SCHEMBL28869014

SCHEMBL28869014

CC(C)(C)OC(=O)C1=CC(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SETD7 Q8WTS6 5/20 0.37
ERBB2 P04626 1/20 0.36
NFKB1 P19838 4/20 0.33
NFKB2 Q00653 4/20 0.33
RELA Q04206 4/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GRM6 O15303 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL6850637 0.78 SETD7 (0.51) MAPTSETD7ERBB2NFKB1NFKB2
SCHEMBL28039152 0.73 KDM4E (0.44) MAPTSETD7CA12CA1CA2
SCHEMBL20087542 0.72 NR4A1 (0.37) MAPTSETD7ERBB2MEN1ALDH1A1
SCHEMBL1287162 0.70 ERBB2 (0.39) MAPTHSD17B10SETD7ERBB2MAPK1
SCHEMBL28327160 0.69 TDP1 (0.42) MAPTHSD17B10SETD7ERBB2MAPK1
SCHEMBL6130475 0.69 SETD7 (0.33) MAPTSETD7ERBB2MEN1ALDH1A1
SCHEMBL7888132 0.69 POLB (0.35) MAPTSETD7ERBB2MAPK1MEN1
Water SCHEMBL28540739 0.69 ERBB2 (0.38) MAPTHSD17B10SETD7ERBB2MAPK1
SCHEMBL10609345 0.68 TSHR (0.49) TP53HSD17B10MAPK1ALDH1A1HPGD
SCHEMBL8049084 0.68 MAPK1 (0.36) MAPTTP53ALOX15HSD17B10MAPK1

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
CN-109219349-A Composition is used in biofilm formating inhibitor and biofilm formation inhibition 花王株式会社 2019-01-15 CN disclosed