SCHEMBL28526673

SCHEMBL28526673

CCOC(=O)c1ccc(S(C)(=O)=O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA14 Q9ULX7 4/20 0.49
KMT2A Q03164 5/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL6827036 0.86 CA12 (0.64) TSHRLMNAKDM4EL3MBTL1CA12
SCHEMBL8492583 0.84 ALDH1A1 (0.55) TSHRLMNAKDM4EL3MBTL1CA12
SCHEMBL22852765 0.84 KDM4E (0.47) TSHRLMNAKDM4EL3MBTL1CA12
SCHEMBL28519051 0.84 CA1 (0.50) TSHRLMNAKDM4EL3MBTL1CA12
SCHEMBL30294881 0.84 KDM4E (0.47) TSHRLMNAKDM4EL3MBTL1CA12
SCHEMBL6182266 0.83 KDM4E (0.50) TSHRLMNAKDM4ECA12CA9
SCHEMBL9696873 0.83 LMNA (0.46) TSHRLMNAKDM4EL3MBTL1CA12
Hydrochloric Acid SCHEMBL9696878 0.83 LMNA (0.53) TSHRLMNAKDM4EL3MBTL1CA12
SCHEMBL3997437 0.83 LMNA (0.48) TSHRLMNAKDM4EL3MBTL1CA12
SCHEMBL26376259 0.83 MAPT (0.52) TSHRLMNAL3MBTL1KMT2AHPGD

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-112313209-A Herbicidal compounds 先正达农作物保护股份公司 2021-02-02 CN disclosed