SCHEMBL12465264

SCHEMBL12465264

C=Cc1ccc2cc(C(=O)C(C)C(=O)C(F)(F)S(=O)(=O)O)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
MEN1 O00255 1/20 0.31
EGFR P00533 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
JAK1 P23458 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2879206 0.83 CA12 (0.32) GABBR2GABBR1MEN1KMT2A
SCHEMBL12376819 0.75 GABBR2 (0.33) TDP1KDM4EALDH1A1GABBR2GABBR1
SCHEMBL12398400 0.75 SMN1; SMN2 (0.38) TDP1KDM4EALDH1A1GABBR2GABBR1
SCHEMBL9966160 0.72 TDP1 (0.36) TDP1KDM4EALDH1A1MEN1MAPT
SCHEMBL12119777 0.71 MAPT (0.31) TDP1KDM4EALDH1A1GABBR2GABBR1
SCHEMBL2742177 0.71 HRH3 (0.34) KDM4E
SCHEMBL18470400 0.71 TDP1 (0.31) TDP1KDM4EALDH1A1MEN1EGFR
SCHEMBL10134937 0.70 TDP1 (0.36) TDP1KDM4EALDH1A1GAAMEN1
SCHEMBL2886439 0.70
SCHEMBL569646 0.69 TDP1 (0.47) TDP1ALDH1A1GAAMEN1MAPT

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-20110183263-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-28 US disclosed