SCHEMBL9957940

SCHEMBL9957940

COc1ccc(OS(=O)(=O)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.65
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.59
FFAR4 Q5NUL3 4/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA3 P34903 1/20 0.53
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
OPRD1 P41143 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6241668 0.89 LMNA (0.65) RAPGEF4LMNASMN1; SMN2MAPTMEN1
SCHEMBL9494277 0.84 MEN1 (0.64) RAPGEF4LMNASMN1; SMN2MAPTMEN1
SCHEMBL2024083 0.84 LMNA (0.59) RAPGEF4LMNASMN1; SMN2MAPTMEN1
Water SCHEMBL27636649 0.82 LMNA (0.57) RAPGEF4LMNASMN1; SMN2MAPTMEN1
Lithium SCHEMBL34419537 0.82 LMNA (0.57) RAPGEF4LMNASMN1; SMN2MAPTMEN1
SCHEMBL5709661 0.81 LMNA (0.61) RAPGEF4LMNASMN1; SMN2MAPTMEN1
SCHEMBL641196 0.81 SMN1; SMN2 (0.46) RAPGEF4LMNASMN1; SMN2MAPTMEN1
SCHEMBL11200612 0.79 RAPGEF4 (1.00) RAPGEF4LMNASMN1; SMN2MAPTMEN1
SCHEMBL17355688 0.78 KMT2A (0.54) RAPGEF4LMNASMN1; SMN2MAPTMEN1
SCHEMBL27708705 0.78 LMNA (0.53) RAPGEF4LMNASMN1; SMN2MAPTMEN1

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