SCHEMBL9957748

SCHEMBL9957748

COc1cc(OS(C)(=O)=O)ccc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.40
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
SMN1; SMN2 Q16637 2/20 0.39
LPAR1 Q92633 1/20 0.39
CA2 P00918 2/20 0.38
CA5A P35218 1/20 0.38
HTR2A P28223 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL9958503 0.87 ALDH1A1 (0.64) ALDH1A1L3MBTL1MEN1PSMD14POLB
SCHEMBL10321409 0.82 ALDH1A1 (0.72) ALDH1A1HPGDCA2CA5ACA12
SCHEMBL9957685 0.80 CA12 (0.54) ALDH1A1L3MBTL1MEN1PSMD14POLB
SCHEMBL2463711 0.80 CA12 (0.59) ALDH1A1L3MBTL1MEN1PSMD14POLB
SCHEMBL799917 0.80 CA1 (0.58) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL31525792 0.80 CA1 (0.58) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL9956982 0.79 CA12 (0.52) ALDH1A1L3MBTL1MEN1PSMD14POLB
SCHEMBL9958155 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1PSMD14POLB
SCHEMBL13624073 0.77 PDIA6 (0.39) ALDH1A1LPAR1EPHX2NR1H4
SCHEMBL9958939 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1MEN1KMT2ALPAR1

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