SCHEMBL1789916

SCHEMBL1789916

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SRD5A2 P31213 1/20 0.42
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
EEF2K O00418 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL1789915 0.87 NR1H4 (0.41) NR1H4AKR1C3AKR1C2SMN1; SMN2SRD5A2
SCHEMBL1789567 0.82 RXRB (0.39) AKR1C3AKR1C2SMN1; SMN2SRD5A2MAPT
SCHEMBL1789498 0.80 ACHE (0.50) FFAR1ACHE
SCHEMBL1788421 0.80 NR1H4 (0.47) NR1H4AKR1C3AKR1C2SMN1; SMN2SRD5A2
SCHEMBL1788088 0.77 MAPT (0.46) NR1H4SMN1; SMN2SRD5A2MAPTTDP1
SCHEMBL1790839 0.77 AKR1C3 (0.33) AKR1C3AKR1C2SMN1; SMN2MAPTALDH1A1
SCHEMBL28387238 0.77 CYP2D6 (0.44) SMN1; SMN2TDP1L3MBTL1HDAC1ALDH1A1
SCHEMBL1788929 0.75 ALDH1A1 (0.46) AKR1C3AKR1C2TDP1L3MBTL1ALDH1A1
SCHEMBL3591632 0.75 NR1H4 (0.50) NR1H4AKR1C3AKR1C2SMN1; SMN2SRD5A2
SCHEMBL1786834 0.74 AKR1C3 (0.36) AKR1C3AKR1C2SMN1; SMN2MAPTTDP1

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