SCHEMBL8522175

SCHEMBL8522175

C=CCc1cc(O)c(S(=O)(=O)O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
HPGD P15428 3/20 0.33
XDH P47989 2/20 0.33
LMNA P02545 2/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SRD5A1 P18405 1/20 0.33
EGFR P00533 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX5 P09917 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL8443167 0.80 LMNA (0.44) HPGDLMNAHIF1AHSD17B10EGFR
SCHEMBL9349480 0.78 LMNA (0.42) HPGDLMNAHIF1AHSD17B10EGFR
SCHEMBL11026975 0.78 POLB (0.36) POLBGABRA1GABRB2GAAALDH1A1
SCHEMBL10981064 0.77 GABRA1 (0.47) POLBGABRA1GABRB2HPGDXDH
SCHEMBL3843623 0.77 GABRA1 (0.52) POLBGABRA1GABRB2HPGDXDH
SCHEMBL8521786 0.76 POLB (0.36) POLBGABRA1GABRB2HPGDLMNA
Phenolsulphonic Acid SCHEMBL9455255 0.75 POLB (0.40) POLBGABRA1GABRB2HPGDLMNA
SCHEMBL6548470 0.74 HSD17B10 (0.46) HPGDLMNAHIF1AHSD17B10EGFR
SCHEMBL9792992 0.72 ALDH1A1 (0.34) POLBALDH1A1
SCHEMBL8765889 0.72 POLB (0.49) POLBGABRA1GABRB2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752418-B1 Method for preparing 4-alkyl-2-hydroxy-3,5-dichlorobenzene sulphonic acids KEMIRA AGRO OY (FI) 1999-09-01 EP claimed
US-5684183-A Method for preparing 4-alkyl-2-hydroxy-3,5-dichlorobenzene sulphonic acids KEMIRA GROWHOW OY (FI) 1997-11-04 US claimed
EP-0752418-A1 Method for preparing 4-alkyl-2-hydroxy-3, 5-dichlorobenzene sulphonic acids KEMIRA AGRO OY (FI) 1997-01-08 EP claimed
JP-9020748-A None JP disclosed
EP-0752418-B1 Method for preparing 4-alkyl-2-hydroxy-3,5-dichlorobenzene sulphonic acids KEMIRA AGRO OY (FI) 1999-09-01 EP disclosed
US-5684183-A Method for preparing 4-alkyl-2-hydroxy-3,5-dichlorobenzene sulphonic acids KEMIRA GROWHOW OY (FI) 1997-11-04 US disclosed
US-5684183-A Method for preparing 4-alkyl-2-hydroxy-3,5-dichlorobenzene sulphonic acids KEMIRA GROWHOW OY (FI) 1997-11-04 US disclosed
JP-H0920748-A PRODUCTION OF 4-ALKYL-2-HYDROXY-3,5-DICHLOROBENZENESULFONIC ACID KEMIRA AGRO OY 1997-01-21 JP disclosed
EP-0752418-A1 Method for preparing 4-alkyl-2-hydroxy-3, 5-dichlorobenzene sulphonic acids KEMIRA AGRO OY (FI) 1997-01-08 EP disclosed
EP-0752418-A1 Method for preparing 4-alkyl-2-hydroxy-3, 5-dichlorobenzene sulphonic acids KEMIRA AGRO OY (FI) 1997-01-08 EP disclosed
US-5292932-A Diazotization and reaction with mineral acid of a similar compound containing amine group in place of hydroxyl HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5292932-A Diazotization and reaction with mineral acid of a similar compound containing amine group in place of hydroxyl HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed