SCHEMBL1789708

SCHEMBL1789708

CC(C)(C)c1ccc(C(C)(C)OC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
SRD5A2 P31213 1/20 0.48
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.45
LMNA P02545 2/20 0.44
TYR P14679 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
CYP1A2 P05177 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NR4A2 P43354 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL1789706 0.84 HDAC1 (0.47) SMN1; SMN2SRD5A2MAPTTDP1L3MBTL1
SCHEMBL6552317 0.84 ALDH1A1 (0.58) MAPTTDP1L3MBTL1HDAC1CYP1A2
SCHEMBL1790672 0.83 SMN1; SMN2 (0.44) SMN1; SMN2MAPTL3MBTL1HDAC1LMNA
SCHEMBL1788433 0.83 GABRA1 (0.44) SMN1; SMN2SRD5A2MAPTTDP1L3MBTL1
Ethane SCHEMBL984516 0.83 ALDH1A1 (0.56) MAPTTDP1L3MBTL1HDAC1CYP1A2
Methane SCHEMBL7949344 0.83 ALDH1A1 (0.56) MAPTTDP1L3MBTL1HDAC1CYP1A2
Acetic Acid SCHEMBL23581538 0.81 ALDH1A1 (0.54) MAPTTDP1L3MBTL1HDAC1CYP1A2
SCHEMBL1790631 0.80 RXRA (0.47) MAPTTDP1L3MBTL1NR1H4RXRA
SCHEMBL25382149 0.79 CYP19A1 (0.54) MAPTLMNAMEN1RAB9AKMT2A
SCHEMBL16858289 0.76 HDAC1 (0.40) SMN1; SMN2SRD5A2MAPTTDP1L3MBTL1

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