SCHEMBL29134970

SCHEMBL29134970

COc1ccc(OS(=O)(=O)C(F)(F)F)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
OPRD1 P41143 1/20 0.40
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL5787332 0.86 ALDH1A1 (0.43) EPAS1CA1CA2GAAPOLB
SCHEMBL6935409 0.85 CA12 (0.55) L3MBTL1CA1CA2CA9CA12
SCHEMBL6938157 0.85 CA12 (0.55) L3MBTL1CA1CA2CA9CA12
SCHEMBL15417657 0.84 L3MBTL1 (0.41) L3MBTL1CA1CA2CA9CA12
SCHEMBL5980992 0.84 GAA (0.43) L3MBTL1CA1CA2CA9CA12
SCHEMBL1411326 0.83 ALDH1A1 (0.44) EPAS1L3MBTL1CA1CA2CA9
SCHEMBL8502379 0.82 EPAS1 (0.47) EPAS1L3MBTL1CA1CA2CA9
SCHEMBL9938388 0.82 SLC2A1 (0.41) L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7785330 0.81 EPAS1 (0.39) EPAS1CA1CA2
SCHEMBL20147043 0.81 L3MBTL1 (0.45) L3MBTL1GAAMAPK1MAPTKMT2A

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-117324042-A Catalytic system for deoxidizing phenolic derivative, and mild and efficient deoxidizing method and application thereof 中国科学院长春应用化学研究所 2024-01-02 CN disclosed