SCHEMBL7471650

SCHEMBL7471650

CC(C)OC(=O)c1scc(C(F)(F)F)c1OS(=O)(=O)Cl

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
COMT P21964 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7469016 0.85 KDM4E (0.42) PTPN1ALDH1A1LMNA
SCHEMBL7478305 0.83 COMT (0.34) PTPN1ALDH1A1LMNAHPGDCOMT
SCHEMBL7467133 0.82 PTPN1 (0.31) PTPN1
SCHEMBL7475408 0.82 MAPK8 (0.40) ALDH1A1LMNAHPGD
SCHEMBL7027264 0.82 ADORA2B (0.34) ADORA2BALDH1A1LMNAHPGDCOMT
SCHEMBL7468005 0.81 ALDH1A1 (0.36) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL8559545 0.81 CA12 (0.34) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL7471026 0.81 COMT (0.34) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL7472825 0.81 ALDH1A1 (0.30) ALDH1A1LMNAHPGD
SCHEMBL7470076 0.80 MAPK8 (0.33) ALDH1A1LMNAHPGDCOMTCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed