SCHEMBL8795201

SCHEMBL8795201

Cc1ccc(O)cc1S(=O)(=O)OCCOS(=O)(=O)c1cc(O)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 3/20 0.42
ESR2 Q92731 2/20 0.42
MEN1 O00255 2/20 0.42
ESR1 P03372 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS1 P23219 1/20 0.38
RECQL P46063 2/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 2/20 0.36
ACHE P22303 1/20 0.36
GFER P55789 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL872880 0.94 ALDH1A1 (0.41) GAAALDH1A1PKMKMT2AESR2
SCHEMBL11385199 0.93 ALDH1A1 (0.43) GAAALDH1A1PKMKMT2AESR2
SCHEMBL2347168 0.93 ALDH1A1 (0.43) GAAALDH1A1PKMKMT2AESR2
SCHEMBL11446428 0.90 ALDH1A1 (0.41) GAAALDH1A1PKMKMT2AESR2
SCHEMBL8459792 0.89 ALDH1A1 (0.44) GAAALDH1A1PKMKMT2AESR2
SCHEMBL643099 0.88 ALDH1A1 (0.42) GAAALDH1A1PKMKMT2AESR2
SCHEMBL9009542 0.88 TYR (0.40) GAAALDH1A1PKMKMT2AESR2
SCHEMBL9813093 0.83 ALDH1A1 (0.36) GAAALDH1A1PKMKMT2AESR2
SCHEMBL8037102 0.82 ALDH1A1 (0.40) GAAALDH1A1PKMKMT2AESR2
SCHEMBL18725939 0.82 ALDH1A1 (0.40) GAAALDH1A1PKMKMT2AESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP disclosed
EP-0023992-B1 DERIVATIVES OF 2,4,6-TRIODO-ISOPHTHALIC ACID, PROCESS FOR THEIR PREPARATION AND X-RAY CONTRAST AGENTS CONTAINING THEM BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1982-06-23 EP disclosed
EP-0023992-A1 Derivatives of 2,4,6-triodo-isophthalic acid, process for their preparation and X-ray contrast agents containing them BRACCO INDUSTRIA CHIMICA Società per Azioni (IT) 1981-02-18 EP disclosed