Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL28056126

CC(C)(C)c1ccccc1.NC(=O)NC(N)=O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KMT2A Q03164 1/20 0.55
KIF11 P52732 2/20 0.50
KCNK9 Q9NPC2 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
TNF P01375 1/20 0.46
KLF5 Q13887 1/20 0.46
NOD1 Q9Y239 1/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46

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 SCHEMBL27449728 0.82 MAPT (0.56) MAPTKMT2AKIF11KCNK9HDAC1
Tert-Butylbenzene SCHEMBL27324626 0.80 MAPT (0.54) MAPTKMT2AKIF11KCNK9HDAC1
Tert-Butylbenzene SCHEMBL27919060 0.80 MAPT (0.54) MAPTKMT2AKIF11KCNK9HDAC1
Tert-Butylbenzene SCHEMBL28110305 0.79 MAPT (0.55) MAPTKMT2AKIF11HDAC1HDAC3
Tert-Butylbenzene SCHEMBL309340 0.79 LMNA (0.55) MAPTKMT2AHDAC1HDAC3HDAC4
Tert-Butylbenzene SCHEMBL28641423 0.78 MAPT (0.52) MAPTKMT2AKIF11KCNK9HDAC1
Tert-Butylbenzene SCHEMBL28779726 0.78 MAPT (0.53) MAPTKMT2AKIF11HDAC1HDAC3
Tert-Butylbenzene SCHEMBL28457869 0.77 LMNA (0.52) MAPTKMT2AHDAC1HDAC3HDAC4
Tert-Butylbenzene SCHEMBL27300848 0.77 LMNA (0.52) MAPTKMT2AHDAC1HDAC3HDAC4
Tert-Butylbenzene SCHEMBL27568733 0.77 TAAR1 (0.52) MAPTKMT2AKIF11LMNATDP1

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-105498842-B Fatty acid methyl ester ethoxylation catalyst and its application 中国石油化工股份有限公司 2018-06-08 CN claimed
CN-105498842-A Fatty acid methyl ester ethoxylation catalyst and application thereof CHINA PETROLEUM & CHEM CORP 2016-04-20 CN claimed
CN-105498842-B Fatty acid methyl ester ethoxylation catalyst and its application 中国石油化工股份有限公司 2018-06-08 CN disclosed
CN-107790189-A Catalyst for fatty acid methyl ester ethoxylation 中国石油化工股份有限公司 2018-03-13 CN disclosed