Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL27715546

CC(C)(C)c1ccccc1.CCCCCCl

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ BCHE P06276 4/20 0.39
▸ ACHE P22303 4/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KCNN4 O15554 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
Tert-Butylbenzene SCHEMBL28769972 0.89 TAAR1 (0.44) BCHEACHELTA4HHDAC3HDAC1
SCHEMBL8606765 0.85 TSHR (0.48) TSHRALDH1A1LTA4HTDP1TAAR1
SCHEMBL6552422 0.85 TSHR (0.48) TSHRALDH1A1LTA4HTDP1TAAR1
Trifluoromethylbenzene SCHEMBL27930053 0.82 TSHR (0.54) TSHRALDH1A1LTA4HTDP1HDAC3
Trifluoromethylbenzene SCHEMBL28122230 0.81 TSHR (0.52) TSHRALDH1A1LTA4HTDP1HDAC3
Biphenyl SCHEMBL27599273 0.79 TSHR (0.55) TSHRALDH1A1LTA4HTDP1
Tert-Butylbenzene SCHEMBL7124304 0.78 LTA4H (0.46) TSHRALDH1A1ACHELTA4HMAPK1
Tert-Butylbenzene SCHEMBL20966227 0.78 KCNH2 (0.54) ALDH1A1ACHETDP1NPC1RAB9A
Tert-Butylbenzene SCHEMBL28464198 0.78 TSHR (0.53) TSHRALDH1A1BCHEACHETDP1
Benzene SCHEMBL28552874 0.78 TSHR (0.75) TSHRALDH1A1ACHELTA4HTDP1

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
CN-105482487-A Highly-fluorescent and photo-stable chromophores for enhanced solar harvesting efficiency NITTO DENKO CORP 2016-04-13 — — CN disclosed
CN-105418582-A Highly-Fluorescent And Photo-Stable Chromophores For Enhanced Solar Harvesting Efficiency NITTO DENKO CORP 2016-03-23 — — CN disclosed
CN-105419380-A Highly-Fluorescent And Photo-Stable Chromophores For Enhanced Solar Harvesting Efficiency NITTO DENKO CORP 2016-03-23 — — CN disclosed
CN-105419379-A HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR ENHANCED SOLAR HARVESTING EFFICIENCY NITTO DENKO CORP 2016-03-23 — — CN disclosed
CN-103562323-B Highly fluorescent and photostable chromophores for enhanced solar harvesting efficiency NITTO DENKO CORP. (JP) 2016-01-20 — — CN disclosed
CN-103562323-A Highly fluorescent and photostable chromophores for enhanced solar harvesting efficiency NITTO DENKO CORP 2014-02-05 — — CN disclosed
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 — — CN disclosed
CN-101208305-A 3,4-dihydroisoquinolinium salt derivatives HANWHA CHEMICAL CORP (KR) 2008-06-25 — — CN disclosed
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