SCHEMBL14775231

SCHEMBL14775231

CCC=CCOC(=O)OCC=CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
PTGS1 P23219 3/20 0.42
ADORA3 P0DMS8 2/20 0.38
NR1I2 O75469 2/20 0.38
PTGS2 P35354 2/20 0.38
PGR P06401 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP19A1 P11511 4/20 0.37
PPARG P37231 3/20 0.37
OXER1 Q8TDS5 3/20 0.37
MAPT P10636 3/20 0.37
RXRA P19793 2/20 0.37
FFAR1 O14842 2/20 0.37
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
SOAT1 P35610 1/20 0.36
F7 P08709 3/20 0.34

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
SCHEMBL15121261 1.00 ALDH1A1 (0.46) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL13455428 0.88 PTGS1 (0.39) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL12120667 0.87 ALDH1A1 (0.52) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL6894506 0.85 TSHR (0.42) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL6896630 0.85 TSHR (0.42) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL6972696 0.84 PTGS1 (0.37) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL6972694 0.83 PTGS1 (0.36) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL14899323 0.83 PTGS1 (0.36) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL16594410 0.83 HDAC6 (0.37) ALDH1A1PTGS1ADORA3NR1I2PTGS2
SCHEMBL789539 0.83 HDAC6 (0.37) ALDH1A1PTGS1ADORA3NR1I2PTGS2

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-2571090-B9 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-9553333-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-01-24 US disclosed
EP-2571090-B1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2016-09-07 EP disclosed
US-20150044554-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-12 US disclosed
US-20130216919-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-22 US disclosed
EP-2618418-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-07-24 EP disclosed
US-20130071731-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-03-21 US disclosed
US-20130071730-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-03-21 US disclosed
EP-2571090-A1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
EP-2571089-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed