SCHEMBL6547020

SCHEMBL6547020

CC(C)Cc1ccccc1C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ TYR P14679 1/20 0.42
▸ SLC6A4 P31645 2/20 0.41
▸ TAAR1 Q96RJ0 6/20 0.38
▸ SIGMAR1 Q99720 2/20 0.35
▸ AOC3 Q16853 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9184834 0.87 GABRA1 (0.52) GABRA1GABRB2SLC6A4TAAR1SIGMAR1
SCHEMBL28674805 0.82 HTT (0.45) GABRA1GABRB2TYRSLC6A4TAAR1
SCHEMBL29486474 0.82 HTT (0.45) GABRA1GABRB2TYRSLC6A4TAAR1
SCHEMBL3074943 0.82 HTT (0.45) GABRA1GABRB2TYRSLC6A4TAAR1
SCHEMBL19755607 0.80 TYR (0.46) GABRA1TYRSLC6A4TAAR1HTT
SCHEMBL6681972 0.79 GABRA1 (0.52) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL6546081 0.78 ADRA2A (0.42) TYRSLC6A4TAAR1HTTKMT2A
SCHEMBL10601615 0.78 HTT (0.43) GABRA1GABRB2TYRSLC6A4TAAR1
SCHEMBL4657385 0.78 L3MBTL1 (0.44) TYRSLC6A4TAAR1SIGMAR1
SCHEMBL9849363 0.78 GABRA1 (0.44) GABRA1GABRB2SLC6A4SLC6A2SLC6A3

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-2797154-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 — — EP disclosed
EP-2797153-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
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