M-Xylene

M-Xylene

SCHEMBL7784481

COC.Cc1cccc(C)c1.OCCO

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.60
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PARP1 P09874 1/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
GAA P10253 1/20 0.40

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
M-Xylene SCHEMBL246698 0.92 ACHE (0.71) ACHEIDO1ALDH1A1MAPK1LMNA
M-Xylene SCHEMBL27490026 0.87 ACHE (0.80) ACHEIDO1ALDH1A1MAPK1LMNA
M-Xylene SCHEMBL29016502 0.84 ACHE (0.52) ACHEIDO1ALDH1A1MAPK1LMNA
M-Xylene SCHEMBL11805269 0.83 ACHE (0.57) ACHEALDH1A1MAPK1LMNACYP1A2
M-Xylene SCHEMBL28054661 0.82 ACHE (0.63) ACHEIDO1ALDH1A1MAPK1LMNA
M-Xylene SCHEMBL11194440 0.81 ACHE (0.71) ACHEIDO1ALDH1A1MAPK1LMNA
M-Xylene SCHEMBL17601871 0.81 ACHE (0.48) ACHEIDO1ALDH1A1MAPK1LMNA
Ethylene Glycol SCHEMBL5862906 0.79 ALDH1A1 (0.60) ACHEALDH1A1MAPK1LMNAMAPT
P-Xylene SCHEMBL235089 0.78 ACHE (0.50) ACHEIDO1ALDH1A1LMNAGAA
M-Xylene SCHEMBL11786968 0.78 ACHE (0.86) ACHEALDH1A1MAPK1LMNACYP1A2

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
EP-0838537-B1 METAL SURFACE TREATMENTS, METHOD FOR TREATING METAL SURFACE, AND SURFACE-TREATED METALLIC MATERIAL NIPPON PAINT CO LTD (JP) 2001-10-17 EP disclosed
EP-0838537-A1 METAL SURFACE TREATMENTS, METHOD FOR TREATING METAL SURFACE, AND SURFACE-TREATED METALLIC MATERIAL NIPPON PAINT CO., LTD. (JP) 1998-04-29 EP disclosed