SCHEMBL1789117

SCHEMBL1789117

CCOC(=O)Oc1cc(C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CUL4A Q13619 2/20 0.39
SOAT1 P35610 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TYMS P04818 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
TNF P01375 1/20 0.34
MEN1 O00255 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
MAPK1 P28482 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL15962308 0.87 CUL4A (0.36) ALDH1A1CUL4ASOAT1LMNACYP3A4
SCHEMBL1788775 0.84 ELANE (0.47) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL17452063 0.82 ALDH1A1 (0.40) ALDH1A1LMNAHPGDKMT2APKM
SCHEMBL1791595 0.82 TSHR (0.37) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL17452061 0.81 APEX1 (0.45) ALDH1A1CUL4ALMNATYMSPTGDR2
SCHEMBL1789205 0.80 KDM4E (0.44) ALDH1A1CUL4ALMNATP53CYP3A4
SCHEMBL1787352 0.80 LMNA (0.35) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL17375002 0.80 ALDH1A1 (0.42) ALDH1A1CUL4ALMNATP53CYP3A4
SCHEMBL16217687 0.80 PTGDR2 (0.57) ALDH1A1CUL4ALMNAALOX15TYMS
SCHEMBL1788884 0.79 ELANE (0.43) ALDH1A1LMNATP53CYP3A4HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed