SCHEMBL14775218

SCHEMBL14775218

C#CC(Cc1ccccc1)OC(=O)OC(C#C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CPA1 P15085 2/20 0.44
CPA3 P15088 2/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
SRR Q9GZT4 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MDM2 Q00987 1/20 0.42
FOLH1 Q04609 1/20 0.41
ACE P12821 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4304747 0.92 NPC1 (0.44) CYP1A2CPA1MEN1KMT2AMMP8
SCHEMBL14775221 0.89 CYP1A2 (0.46) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL4306985 0.86 ALDH1A1 (0.44) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL534745 0.79 MAOB (0.46) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL4311358 0.76 EPHX1 (0.43) CYP1A2CPA1CPA3CPB1CPB2
SCHEMBL20488797 0.76 MAOB (0.43) CYP1A2CPA1PKMKDM4EMAOB
SCHEMBL31036773 0.74 PPARG (0.44) CYP1A2MAOBTSHR
SCHEMBL6826673 0.73 TSHR (0.53) CYP1A2SRRALPIPKMPTGS1
SCHEMBL20489214 0.73 MAOB (0.45) CYP1A2PKMKDM4EMAOBTSHR
SCHEMBL4306413 0.72 MAOB (0.41) CYP1A2PKMKDM4EMEN1KMT2A

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-2571089-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
EP-2571090-A1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed