SCHEMBL7031392

SCHEMBL7031392

Cc1cc(C(C)C)ccc1S(=O)(=O)O.[CaH2]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
TRPA1 O75762 1/20 0.46
CACNA1C Q13936 1/20 0.46
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
LMNA P02545 1/20 0.42
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
PTGS2 P35354 1/20 0.39
RNASEH1 O60930 1/20 0.38
EPHX2 P34913 1/20 0.37
TYR P14679 2/20 0.37
MPL P40238 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL30026088 0.83 PTGS1 (0.52) PTGS1TRPA1CACNA1CFABP3FABP4
SCHEMBL393740 0.83 PTGS1 (0.52) PTGS1TRPA1CACNA1CFABP3FABP4
SCHEMBL11951547 0.81 L3MBTL1 (0.55) PTGS1TRPA1CACNA1CLMNABCHE
SCHEMBL11951560 0.79 LMNA (0.44) PTGS1TRPA1CACNA1CLMNABCHE
SCHEMBL4629169 0.79 PDIA6 (0.49) PTGS1TRPA1CACNA1CLMNABCHE
SCHEMBL11400620 0.79 FABP3 (0.58) PTGS1TRPA1CACNA1CFABP3FABP4
SCHEMBL12664568 0.78 CA1 (0.35) FABP3FABP4FABP5ACHEALDH1A1
SCHEMBL12629303 0.78 CA1 (0.35) FABP3FABP4FABP5ACHEALDH1A1
SCHEMBL11951553 0.78 LMNA (0.42) PTGS1TRPA1CACNA1CLMNABCHE
SCHEMBL7031389 0.78 LMNA (0.42) PTGS1TRPA1CACNA1CLMNABCHE

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
WO-2001064054-A9 METHOD FOR HARDENING GRANULAR INORGANIC SALT COMPOUNDS LOBECO PRODUCTS INC (US) 2003-01-03 WO disclosed
US-6365120-B1 HARDENING USING A NAPHTHALENESULFONATE SALT AND AMMONIUM SULFATE LOBECO PRODUCTS, INC. 2002-04-02 US disclosed
WO-2001064054-A1 METHOD FOR HARDENING GRANULAR INORGANIC SALT COMPOUNDS LOBECO PRODUCTS, INC. (US) 2001-09-07 WO disclosed