M-Xylene

M-Xylene

SCHEMBL28089710

CCCC(=O)CCC.Cc1cccc(C)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
IAPP P10997 2/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
PARP1 P09874 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL110045 0.85 IAPP (0.58) IAPPALDH1A1MAPTTDP1HDAC3
Toluene SCHEMBL4119716 0.84 CES2 (0.50) ACHEIAPPALDH1A1MAPTSMN1; SMN2
SCHEMBL5180962 0.83 CTBP2 (0.53) ALDH1A1MAPTSMN1; SMN2TDP1
M-Xylene SCHEMBL28139322 0.82 ACHE (0.57) ACHESMN1; SMN2HPGDTDP1HSD17B10
SCHEMBL9320727 0.79 KMT2A (0.60) MAPTSMN1; SMN2TDP1GAAMEN1
SCHEMBL2027904 0.78 CTNNB1 (0.59) ALDH1A1MAPTSMN1; SMN2HPGDTDP1
SCHEMBL13994594 0.77 HDAC3 (0.69) ALDH1A1MAPTHPGDHSD17B10HDAC3
M-Xylene SCHEMBL29073218 0.77 ACHE (0.57) ACHESMN1; SMN2HPGDTDP1HSD17B10
M-Xylene SCHEMBL10339362 0.77 ACHE (0.57) ACHEALDH1A1SMN1; SMN2HPGDTDP1
M-Xylene SCHEMBL28054661 0.77 ACHE (0.63) ACHEALDH1A1MAPTHPGDTDP1

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-105824191-A Photo-curable coloring composition, solidification object and article 日本化药株式会社 2016-08-03 CN disclosed
CN-105764997-A Pigment composition and method for producing same, water-soluble organic solvent for milling and kneading, and pigment composition for color filter 东洋油墨SC控股株式会社 2016-07-13 CN disclosed