SCHEMBL6546769

SCHEMBL6546769

CC(C)c1ccccc1C(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP2C19 P33261 1/20 0.41
GABRA1 P14867 3/20 0.40
GABRB2 P47870 2/20 0.40
LMNA P02545 3/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 1/20 0.37

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
Hydrogen Peroxide SCHEMBL9064510 0.98 CRHBP (0.46) CRHBPCRHR2CYP3A4ALDH1A1ESR1
SCHEMBL6576803 0.87 GABRA1 (0.46) CRHBPCRHR2CYP3A4ALDH1A1CYP2C19
SCHEMBL10633765 0.85 CRHBP (0.39) CRHBPCRHR2CYP3A4ALDH1A1ESR1
SCHEMBL10775084 0.83 GABRA1 (0.53) CRHBPCRHR2CYP3A4ALDH1A1ESR1
SCHEMBL10599648 0.82 CRHBP (0.40) CRHBPCRHR2CYP3A4ALDH1A1ESR1
SCHEMBL2199266 0.79 ALDH1A1 (0.54) CYP3A4ALDH1A1ESR1ESR2TSHR
SCHEMBL29932235 0.79 CYP3A4 (0.42) CRHBPCRHR2CYP3A4ALDH1A1ESR1
Hydrogen Peroxide SCHEMBL49977 0.78 GABRA1 (0.48) CRHBPCRHR2CYP3A4ALDH1A1CYP2C19
SCHEMBL25137938 0.78 CYP3A4 (0.36) CRHBPCRHR2CYP3A4ALDH1A1ESR1
SCHEMBL4667743 0.78 GABRA1 (0.46) CRHBPCRHR2CYP3A4ALDH1A1CYP2C19

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
CN-104025364-B Organic bath and organic bath accumulator 吉坤日矿日石能源株式会社 2017-03-08 CN 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
CN-104025364-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-09-03 CN disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN 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