SCHEMBL9958096

SCHEMBL9958096

COc1cc(OC)cc(OS(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A1 P04798 4/20 0.48
CYP1B1 Q16678 4/20 0.48
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 4/20 0.40
ESR1 P03372 2/20 0.40
ABL1 P00519 1/20 0.40
TTR P02766 1/20 0.40
ABCB1 P08183 1/20 0.40
ALOX5 P09917 1/20 0.40
BCR P11274 1/20 0.40
CYP19A1 P11511 1/20 0.40
NQO2 P16083 1/20 0.40
PTGS2 P35354 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
AHR P35869 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
SCHEMBL9957932 1.00 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA2CA1
SCHEMBL8194919 0.91 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA2CA1
SCHEMBL15720899 0.89 HTR6 (0.45) ALDH1A1CYP1A1CYP1B1CA2CA1
SCHEMBL927493 0.89 ALDH1A1 (0.45) ALDH1A1CA2CA1CA9GAA
SCHEMBL2083820 0.89 ALDH1A1 (0.44) ALDH1A1CYP1A1CYP1B1CA2CA1
SCHEMBL9957670 0.89 ALDH1A1 (0.44) ALDH1A1CYP1A1CYP1B1CA2CA1
SCHEMBL8214825 0.86 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA2CA1
SCHEMBL8214823 0.86 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA2CA1
SCHEMBL9958559 0.86 CYP1A1 (0.52) ALDH1A1CYP1A1CYP1B1CYP1A2ESR1
SCHEMBL9958667 0.86 ALDH1A1 (0.44) ALDH1A1CYP1A1CYP1B1CA2CA1

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 6 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
CN-102484280-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2014-05-07 CN 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
CN-102484280-A Nonaqueous Electrolyte Solution And Electrochemical Element Using Same UBE INDUSTRIES 2012-05-30 CN disclosed