SCHEMBL1789915

SCHEMBL1789915

CC(C)(C)c1ccc(C(F)OC(=O)OC(F)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HDAC1 Q13547 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
SRD5A2 P31213 1/20 0.39
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1789916 0.87 NR1H4 (0.43) NR1H4AKR1C3AKR1C2HDAC1TRPV1
SCHEMBL1789565 0.81 GABRA1 (0.39) AKR1C3AKR1C2TRPV1SMN1; SMN2ALDH1A1
SCHEMBL1789495 0.80 ACHE (0.51) ALDH1A1NPC1RAB9AL3MBTL1ACHE
SCHEMBL1788416 0.79 NR1H4 (0.45) NR1H4AKR1C3AKR1C2HDAC1SMN1; SMN2
SCHEMBL1788086 0.76 MAPT (0.47) NR1H4SMN1; SMN2ALDH1A1SRD5A2LMNA
SCHEMBL1790838 0.76 MEN1 (0.35) AKR1C3AKR1C2SMN1; SMN2ALDH1A1LMNA
SCHEMBL1789852 0.75 UTS2R (0.42) NR1H4HDAC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1788927 0.74 ALDH1A1 (0.42) AKR1C3AKR1C2SMN1; SMN2ALDH1A1TSHR
SCHEMBL28387237 0.74 CYP2D6 (0.44) HDAC1SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL1786832 0.74 MAPT (0.36) NR1H4AKR1C3AKR1C2SMN1; SMN2ALDH1A1

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