SCHEMBL9958503

SCHEMBL9958503

COc1ccc(OS(C)(=O)=O)cc1C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.50
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
WDR5 P61964 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
CA1 P00915 2/20 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
SCHEMBL9957748 0.87 ALDH1A1 (0.59) ALDH1A1GAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL9958939 0.87 ALDH1A1 (0.55) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL16884975 0.85 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL10321409 0.82 ALDH1A1 (0.72) ALDH1A1GAAHPGDCA1CA2
SCHEMBL2463711 0.80 CA12 (0.59) ALDH1A1GAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL9957685 0.80 CA12 (0.54) ALDH1A1GAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL799846 0.80 ALDH1A1 (0.70) ALDH1A1GAARARARARBRARG
SCHEMBL9956982 0.79 CA12 (0.52) ALDH1A1GAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL9958775 0.77 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1SMN1; SMN2MEN1
SCHEMBL17148215 0.76 SMN1; SMN2 (0.66) ALDH1A1GAARARARARBRARG

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