SCHEMBL11020079

SCHEMBL11020079

CS(=O)(=O)c1ccc(C(C(=O)O)=S(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.51
PTGS2 P35354 5/20 0.47
GSR P00390 2/20 0.47
AKR1C2 P52895 3/20 0.45
AKR1C1 Q04828 3/20 0.45
ENPP2 Q13822 1/20 0.45

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
SCHEMBL6119974 0.76 ALDH1A1 (0.54) AKR1C3
SCHEMBL8186690 0.76 AKR1C3 (0.58) AKR1C3PTGS2AKR1C2AKR1C1ENPP2
SCHEMBL34837 0.76 CA2 (0.61) AKR1C3PTGS2GSRENPP2
Hydrochloric Acid SCHEMBL11213950 0.74 CA2 (0.59) AKR1C3PTGS2GSRENPP2
SCHEMBL3673930 0.73 CES1 (0.48)
SCHEMBL4321082 0.73 ENPP2 (0.58) AKR1C3PTGS2GSRENPP2
SCHEMBL27486699 0.73 AKR1C3 (0.54) AKR1C3PTGS2GSRAKR1C2AKR1C1
SCHEMBL3671533 0.72 ALOX15 (0.54)
SCHEMBL28229 0.71 PTGS2 (0.57) AKR1C3PTGS2GSRENPP2
SCHEMBL2349058 0.71 CA12 (0.66) PTGS2

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
EP-0160996-A2 Heat developable light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-11-13 EP disclosed