SCHEMBL6549310

SCHEMBL6549310

Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
ENPP3 O14638 7/20 0.53
ENPP1 P22413 6/20 0.53
ENPP2 Q13822 5/20 0.53
ALDH1A1 P00352 3/20 0.50
KIF11 P52732 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CA12 O43570 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 1/20 0.47
PTPN1 P18031 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL6937368 1.00 CA2 (0.54) CA2CA1CA9ENPP3ENPP1
SCHEMBL3843869 0.87 ENPP1 (0.47) CA2CA1CA9ENPP3ENPP1
SCHEMBL18179825 0.86 MEN1 (0.60) CA2CA1CA9ENPP3ENPP1
SCHEMBL4126086 0.86 MEN1 (0.60) CA2CA1CA9ENPP3ENPP1
SCHEMBL9852204 0.86 MEN1 (0.60) CA2CA1CA9ENPP3ENPP1
SCHEMBL3841628 0.85 KMT2A (0.51) CA2CA1CA9ENPP3ENPP1
SCHEMBL2065585 0.85 CA1 (0.56) CA2CA1CA9ENPP3ENPP1
SCHEMBL2990067 0.85 MEN1 (0.62) CA2CA1CA9ENPP3ENPP1
SCHEMBL12276116 0.84 BCHE (0.58) CA2CA1CA9ALDH1A1KIF11
Iodide SCHEMBL22068772 0.84 CA2 (0.59) CA2CA1CA9ENPP3ENPP1

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-0789279-B2 Polymer and resist material WAKO PURE CHEM IND LTD (JP) 2004-12-08 EP disclosed
EP-0789279-B1 Polymer and resist material WAKO PURE CHEM IND LTD (JP) 2001-03-21 EP disclosed
US-6033826-A POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0789279-A1 Polymer and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-08-13 EP disclosed