Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL28557249

CC(C)(C)c1ccccc1.S=C=S

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.42
TYR P14679 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNN4 O15554 3/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KIF11 P52732 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38

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 SCHEMBL2886541 0.90 MAPK1 (0.42) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL22264597 0.88 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL22264599 0.88 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL18889 0.88 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL337648 0.88 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL2568053 0.88 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL309340 0.85 LMNA (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL11852689 0.85 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL16583175 0.85 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL975494 0.85 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778474-B Rare earth cage-shaped coordination compound metal fluorescence dual-mode label for flow cytometry and preparation method thereof 中国科学院苏州生物医学工程技术研究所 2022-07-19 CN claimed
CN-112778474-A Rare earth cage-shaped coordination compound metal fluorescence dual-mode label for flow cytometry and preparation method thereof 中国科学院苏州生物医学工程技术研究所 2021-05-11 CN claimed
CN-112778474-B Rare earth cage-shaped coordination compound metal fluorescence dual-mode label for flow cytometry and preparation method thereof 中国科学院苏州生物医学工程技术研究所 2022-07-19 CN disclosed
CN-112778474-A Rare earth cage-shaped coordination compound metal fluorescence dual-mode label for flow cytometry and preparation method thereof 中国科学院苏州生物医学工程技术研究所 2021-05-11 CN disclosed