SCHEMBL1790469

SCHEMBL1790469

CCc1ccc(COC(=O)OCc2ccc(CC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
NAAA Q02083 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLK1 P53350 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3442816 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL12228653 0.85 RXRA (0.42) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL1790470 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL10017478 0.84 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL19564950 0.83 RXRA (0.47) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL6668579 0.83 KMT2A (0.74) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL11868697 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL2623828 0.83 RXRA (0.47) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL6646548 0.82 AGXT (0.52) ALDH1A1NAAAMAPTNPC1GAA
SCHEMBL22699958 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NAAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544610-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS Rugen Holdings (Cayman) Limited (KY) 2019-10-02 EP disclosed
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
WO-2018098128-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-05-31 WO 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