Toluene

Toluene

SCHEMBL28201229

Brc1ccoc1Br.Cc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
HPGD P15428 2/20 0.32
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
POLB P06746 1/20 0.31
TP53 P04637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
Toluene SCHEMBL27805633 0.69 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL27433163 0.69
Toluene SCHEMBL27775227 0.69 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL2972611 0.69 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL14954205 0.69 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL8772848 0.69 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL14954280 0.69 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL30799156 0.69 ACHE (0.85) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL4429042 0.69 ACHE (1.00) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL175861 0.69 ACHE (1.00) LMNATSHRALOX12ACHEALDH1A1

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
CN-108165140-A Electroactive coating and composition for forming the same 博九通科技股份有限公司 2018-06-15 CN disclosed
CN-105295008-B Electroactive polymer solution or coating, composition and method for forming same, capacitor and method for making same, and antistatic article 博九通科技股份有限公司 2018-02-27 CN disclosed