SCHEMBL9308849

SCHEMBL9308849

O=C(O)c1cc(S(=O)(=O)c2ccccc2)c(O)c(O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
MCL1 Q07820 3/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR6 P50406 2/20 0.41
SLC16A1 P53985 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL689428 0.83 NPSR1 (0.46) GAAPOLBGFERMCL1CYP2C9
SCHEMBL2789013 0.77 MCL1 (0.69) MCL1CYP2C9HSD17B10ALDH1A1
SCHEMBL442011 0.77 NPSR1 (0.41) GAAPOLBGFERMCL1CYP2C9
SCHEMBL29676384 0.75 NPSR1 (0.47) GAAPOLBGFERNPSR1ALDH1A1
SCHEMBL34677 0.75 NPSR1 (0.47) GAAPOLBGFERNPSR1ALDH1A1
SCHEMBL4923819 0.75 NPSR1 (0.47) GAAPOLBGFERNPSR1ALDH1A1
SCHEMBL899970 0.74 POLB (0.58) GAAPOLBGFERNPSR1HTR6
SCHEMBL8723742 0.73 POLB (0.67) GAAPOLBGFERNPSR1HTR6
SCHEMBL505289 0.73 MMP2 (0.58) POLBNPSR1ALDH1A1HTR6MMP1
SCHEMBL8066769 0.73 HTR6 (0.58) GAAPOLBGFERNPSR1HTR6

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
EP-0362649-B1 Radiation-sensitive compositions and their use BASF AG (DE) 1994-03-02 EP claimed
US-5284734-A Insulating layers and printed circuits; precursors for polyimides and polyquinazolines BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US claimed
US-5284734-A Insulating layers and printed circuits; precursors for polyimides and polyquinazolines BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed