SCHEMBL6546971

SCHEMBL6546971

CC(C)Cc1ccccc1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 4/20 0.47
SIGMAR1 Q99720 2/20 0.47
SLC18A2 Q05940 1/20 0.47
CALM1 P0DP23 1/20 0.46
SLC6A2 P23975 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL11464452 0.86 GABRA1 (0.56) GABRA1GABRB2TAAR1SIGMAR1SLC18A2
SCHEMBL6546112 0.86 GABRA1 (0.44) HTR2AGABRA1GABRB2L3MBTL1SLC6A2
SCHEMBL6548102 0.84 GABRA1 (0.47) HTR2AGABRA1GABRB2L3MBTL1TAAR1
SCHEMBL27473697 0.84 GABRA1 (0.42) GABRA1GABRB2TAAR1SLC6A2SLC6A4
Hydrogen Peroxide SCHEMBL5685702 0.84 GABRA1 (0.65) HTR2AGABRA1GABRB2TAAR1SIGMAR1
SCHEMBL4384859 0.83 SLC6A4 (0.63) HTR2ATAAR1SIGMAR1SLC6A2MAOA
SCHEMBL840750 0.83 GABRA1 (0.64) GABRA1GABRB2TAAR1SIGMAR1SLC18A2
SCHEMBL6547503 0.82 HTR2A (0.46) HTR2AL3MBTL1TAAR1SIGMAR1SLC18A2
SCHEMBL5174936 0.81 GABRA1 (0.61) GABRA1GABRB2TAAR1SIGMAR1SLC18A2
SCHEMBL5174943 0.81 GABRA1 (0.61) GABRA1GABRB2TAAR1SIGMAR1SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 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
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
US-4036860-A OXIDATION OF A DIPHENYLMETHANE, VANADIUM-TITANIUM OXIDE CATALYST ON BASF AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed