SCHEMBL28297568

SCHEMBL28297568

CC(C)(OS(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 1/20 0.39
HSD11B1 P28845 1/20 0.39
NR3C2 P08235 3/20 0.37
PTPN1 P18031 3/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 2/20 0.34
KCNN4 O15554 1/20 0.34
HIF1A Q16665 1/20 0.34
PTPN11 Q06124 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
SCHEMBL777647 0.81 MAPK1 (0.56) MAPK1ALDH1A1ALOX15CA1CA2
SCHEMBL3132299 0.79 CA2 (0.47) MAPK1ALDH1A1CA1CA2CA5A
SCHEMBL777648 0.78 ALDH1A1 (0.59) MAPK1ALDH1A1ALOX15CA1CA2
SCHEMBL3988445 0.78 CA2 (0.45) ALDH1A1CA1CA2CA5ACA9
SCHEMBL6900027 0.76 MAPK1 (0.50) MAPK1ALDH1A1ALOX15CA1CA2
SCHEMBL9342702 0.74 MAPK1 (0.48) MAPK1ALDH1A1ALOX15CA1CA2
SCHEMBL29175727 0.73 MAPK1 (0.47) MAPK1ALDH1A1ALOX15CA1CA2
SCHEMBL21364148 0.73 CA1 (0.35) MAPK1ALDH1A1ALOX15CA1CA2
SCHEMBL6521107 0.72 HSD11B1 (0.43) ALDH1A1HSD11B1KMT2A
SCHEMBL869739 0.72 NR3C2 (0.49) ALDH1A1CA1CA2CA9NR3C2

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-109752923-A Photosensitive resin composition 三星显示有限公司 2019-05-14 CN disclosed