Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL28083134

CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1OCC1CO1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
GLA P06280 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 3/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
HIF1A Q16665 2/20 0.47
PPARG P37231 1/20 0.47
RBP4 P02753 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL80170 0.93 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL8695311 0.93 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL8695675 0.93 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL30033688 0.93 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL11422531 0.87 MEN1 (0.65) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL241150 0.83 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL2905738 0.83 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL17667215 0.81 ALDH1A1 (0.54) ALDH1A1GLAMEN1KMT2ATDP1
Tert-Butylbenzene SCHEMBL266495 0.80 MEN1 (0.58) ALDH1A1GLAMEN1KMT2ATDP1
SCHEMBL8159336 0.80 ALDH1A1 (0.64) ALDH1A1GLAMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103717640-B The preparation method of branched polyether carbonic ester and its purposes 赢创德固赛有限公司 2016-08-31 CN disclosed