Toluene

Toluene

SCHEMBL9711835

CCCCOC(=O)CC.Cc1ccccc1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
TSHR P16473 6/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
LTA4H P09960 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44

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 SCHEMBL28574254 0.88 TSHR (0.53) TSHRL3MBTL1TDP1MEN1KMT2A
Toluene SCHEMBL28074309 0.88 DGKA (0.55) TSHRL3MBTL1TDP1MEN1KMT2A
Toluene SCHEMBL11846816 0.87 TSHR (0.51) TSHRL3MBTL1TDP1MEN1KMT2A
Toluene SCHEMBL27371815 0.87 TSHR (0.51) TSHRL3MBTL1TDP1MEN1KMT2A
Chlorobenzene SCHEMBL28289911 0.85 NAAA (0.55) NAAATSHRL3MBTL1TDP1HTT
Acetic Acid Butyl Ester SCHEMBL8464588 0.84 ALDH1A1 (0.64) TSHRL3MBTL1TDP1MEN1KMT2A
Acetic Acid Butyl Ester SCHEMBL20540736 0.84 ALDH1A1 (0.64) TSHRL3MBTL1TDP1MEN1KMT2A
Acetic Acid Butyl Ester SCHEMBL302627 0.84 ALDH1A1 (0.64) TSHRL3MBTL1TDP1MEN1KMT2A
Acetic Acid Butyl Ester SCHEMBL9577010 0.84 ALDH1A1 (0.64) TSHRL3MBTL1TDP1MEN1KMT2A
Ethyl Propionate SCHEMBL27658259 0.83 MEN1 (0.52) TSHRMEN1KMT2AALDH1A1LMNA

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
US-5085899-A Electroconductive tackifier paint coated on pellicle frame MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-02-04 US disclosed