SCHEMBL1789568

SCHEMBL1789568

COc1cc(C(C)(C)C)cc(C2(OC(=O)O)CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1791748 0.99 CTSD (0.42) CTSDBACE1RARARARBRARG
SCHEMBL1791060 0.97 CTSD (0.39) CTSDBACE1RARARARBRARG
SCHEMBL1789566 0.90 CTSD (0.43) CTSDBACE1RARARARBRARG
SCHEMBL1791747 0.89 CTSD (0.45) CTSDBACE1RARARARBRARG
SCHEMBL1791059 0.88 CTSD (0.41) CTSDBACE1RARARARBRARG
SCHEMBL1790004 0.82 CTSD (0.41) CTSDBACE1RARARARBRARG
SCHEMBL1786646 0.81 CTSD (0.42) CTSDBACE1RARARARBRARG
SCHEMBL1791024 0.80 CTSD (0.39) CTSDBACE1RARARARBRARG
SCHEMBL1790003 0.72 CTSD (0.43) CTSDBACE1RARARARBRARG
SCHEMBL1786645 0.71 BACE1 (0.45) CTSDBACE1RARARARBRARG

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