SCHEMBL1788904

SCHEMBL1788904

CC(C)(C)c1ccccc1C(OC(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ATM Q13315 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL1788903 0.92 ESR1 (0.39) ESR1ESR2ATMTDP1L3MBTL1
SCHEMBL1791675 0.84 CYP3A4 (0.38) ESR1ESR2ATMTDP1L3MBTL1
SCHEMBL1790920 0.80 TDP1 (0.40) ATMTDP1ALDH1A1KDM4ETSHR
SCHEMBL1792443 0.79 TDP1 (0.39) ATMTDP1ALDH1A1KDM4ETSHR
SCHEMBL1838498 0.78 ESR1 (0.52) ESR1ESR2L3MBTL1ALDH1A1KDM4E
SCHEMBL1788088 0.77 MAPT (0.46) ESR1ESR2TDP1L3MBTL1LMNA
SCHEMBL871451 0.76 ESR1 (0.57) ESR1ESR2TDP1L3MBTL1ALDH1A1
SCHEMBL1791673 0.76 CYP3A4 (0.38) ESR1ESR2ATMTDP1L3MBTL1
SCHEMBL1838434 0.75 OPRM1 (0.41) ESR1ESR2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL11846585 0.74 ESR1 (0.55) ESR1ESR2TDP1L3MBTL1ALDH1A1

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