SCHEMBL6575801

SCHEMBL6575801

Nc1cc(OS(=O)(=O)O)cc2cc(OS(=O)(=O)O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
GLA P06280 1/20 0.44
CISD1 Q9NZ45 1/20 0.41
CA2 P00918 4/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CASP6 P55212 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NSD2 O96028 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11121697 0.88 GAA (0.46) GAAGLACISD1CA2CA9
SCHEMBL11125638 0.85 CA1 (0.42) GAAGLACISD1CA2CA9
SCHEMBL7755613 0.83 CA1 (0.45) GAAGLACISD1CA2CA9
SCHEMBL974570 0.81 CA2 (0.46) CISD1CA2CA9CA1CASP6
SCHEMBL10441421 0.81 GAA (0.45) GAAGLACISD1CA2CA9
SCHEMBL7008361 0.81 CISD1 (0.50) GAAGLACISD1CA2CA9
SCHEMBL10900544 0.80 NR4A1 (0.52) GAAGLACISD1CA2CA9
SCHEMBL11136116 0.78 GAA (0.45) GAAGLACISD1CA2CA9
SCHEMBL11028747 0.77 GAA (0.47) GAAGLACISD1CA2CA9
SCHEMBL7755552 0.77 GLA (0.44) GAAGLACISD1CA2CA9

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-1411884-A2 FOAMABLE PREPARATIONS Beiersdorf AG (DE) 2004-04-28 EP disclosed
WO-2003007893-A2 FOAMABLE PREPARATIONS BEIERSDORF AG (DE) 2003-01-30 WO disclosed
EP-0014378-B1 TRIS- OR TETRAKISAZO-DYESTUFFS AND THEIR USE FOR DYEING LEATHER BASF Aktiengesellschaft (DE) 1981-11-04 EP disclosed