SCHEMBL9633260

SCHEMBL9633260

O=Cc1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 4/20 0.46
GFER P55789 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.42
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CA2 P00918 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ENPP2 Q13822 1/20 0.39
ELANE P08246 1/20 0.39
CNR2 P34972 1/20 0.38
PTGS1 P23219 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ERAP1 Q9NZ08 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
SCHEMBL1130080 0.77 POLB (0.58) POLBGAAGFERRAPGEF4PKM
SCHEMBL7184588 0.77 GAA (0.41) POLBGAAGFERPKMTDP1
SCHEMBL8493837 0.74 RAPGEF4 (0.58) POLBGAAGFERRAPGEF4PKM
SCHEMBL10454872 0.74 POLB (0.59) POLBGAAGFERRAPGEF4PKM
SCHEMBL6998847 0.74 POLB (0.54) POLBGAAGFERRAPGEF4PKM
SCHEMBL5154064 0.71 POLB (0.47) POLBGAAGFERRAPGEF4PKM
SCHEMBL7190732 0.71 ALDH5A1 (0.70) GAARAPGEF4PKMALDH1A1LMNA
SCHEMBL18838 0.71 GAA (0.67) POLBGAARAPGEF4PKMALDH1A1
SCHEMBL29724901 0.71 GAA (0.67) POLBGAARAPGEF4PKMALDH1A1
SCHEMBL3792342 0.71 GAA (0.67) POLBGAARAPGEF4PKMALDH1A1

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
US-3959559-A AROMATIC SULFONIC ACID, REACTION PRODUCT OF A TRIAZINE OR PIPERAZINE WITH A POLYOXYETHYLENE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-05-25 US claimed
US-5098774-A Stain resistant finishes CHANG JOHN C (US) 1992-03-24 US disclosed
US-3959559-A AROMATIC SULFONIC ACID, REACTION PRODUCT OF A TRIAZINE OR PIPERAZINE WITH A POLYOXYETHYLENE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-05-25 US disclosed