Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL16583175

CC(C)(C)c1ccccc1.[Zn]

nearest known ligand 0.52

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.48
TYR P14679 1/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
CYP3A4 P08684 1/20 0.46
KCNN4 O15554 3/20 0.46
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 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
Tert-Butylbenzene SCHEMBL337648 0.97 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL18889 0.97 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL22264597 0.97 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL22264599 0.97 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL2568053 0.97 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL11852689 0.93 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL6537004 0.93 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL975494 0.93 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL309340 0.93 LMNA (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL5921915 0.93 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9076934-B2 Process for preparing resin-linear organosiloxane block copolymers DOW CORNING CORPORATION (US) 2015-07-07 US disclosed
US-20150087771-A1 PROCESS FOR PREPARING RESIN-LINEAR ORGANOSILOXANE BLOCK COPOLYMERS DOW CORNING CORPORATION (US) 2015-03-26 US disclosed