SCHEMBL9958036

SCHEMBL9958036

COc1ccc(C(C)(C)C)cc1OS(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA9 Q16790 2/20 0.62
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.46
ALPL P05186 1/20 0.44
ATM Q13315 1/20 0.43
WDR5 P61964 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE4B Q07343 1/20 0.43
NR1I2 O75469 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL9958403 0.95 CA1 (0.65) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL29436012 0.82 CA2 (0.50) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL179467 0.82 CA2 (0.50) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL2456740 0.82 CA1 (0.57) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL2458823 0.82 CA1 (0.57) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL15290559 0.80 CA1 (0.54) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL10710253 0.80 SMN1; SMN2 (0.62) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL6336769 0.79 CA5A (0.41) CA1CA2CA9ALDH1A1
SCHEMBL5706328 0.78 CA1 (0.53) CA1CA2CA9ALDH1A1SMN1; SMN2
SCHEMBL647894 0.78 CA1 (0.53) CA1CA2CA9ALDH1A1SMN1; SMN2

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
US-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed