SCHEMBL6546293

SCHEMBL6546293

CC(C)Cc1ccccc1/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.46
TRPA1 O75762 2/20 0.46
CHAT P28329 1/20 0.45
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTR2A P28223 3/20 0.42
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
AHR P35869 1/20 0.40
NPC1 O15118 1/20 0.39
MTOR P42345 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
SCHEMBL16105670 1.00 NFE2L2 (0.46) NFE2L2TRPA1CHATGABRA1GABRB2
SCHEMBL6546294 1.00 NFE2L2 (0.46) NFE2L2TRPA1CHATGABRA1GABRB2
SCHEMBL10556870 0.90 GABRA1 (0.50) NFE2L2TRPA1CHATGABRA1GABRB2
SCHEMBL10556877 0.90 GABRA1 (0.50) NFE2L2TRPA1CHATGABRA1GABRB2
SCHEMBL28077134 0.86 NFE2L2 (0.41) NFE2L2TRPA1CHATGABRA1GABRB2
SCHEMBL9839979 0.86 GABRA1 (0.42) NFE2L2TRPA1CHATGABRA1GABRB2
SCHEMBL8120611 0.83 GABRA1 (0.44) NFE2L2TRPA1GABRA1GABRB2HTR2A
SCHEMBL31348024 0.81 GABRA1 (0.45) GABRA1GABRB2PTGER4PTGER3PTGER2
SCHEMBL17160012 0.81 GABRA1 (0.45) GABRA1GABRB2PTGER4PTGER3PTGER2
Styrene SCHEMBL2417249 0.79 ALDH1A1 (0.48) GABRA1GABRB2HTR2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9419307-B2 Organic electrolyte and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-08-16 US disclosed
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
US-20140370375-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-12-18 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
EP-2797154-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
US-20140302387-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-10-09 US disclosed
EP-2784868-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-01 EP disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed