O-Xylene

O-Xylene

SCHEMBL27796014

CCC(C)N.Cc1ccccc1C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ACHE P22303 1/20 0.53
MAOA P21397 7/20 0.52
MAOB P27338 3/20 0.52
SCN4A P35499 5/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 2/20 0.48
SCN1A P35498 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN9A Q15858 2/20 0.48
SLC6A4 P31645 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
NFKB1 P19838 2/20 0.48
HTR2A P28223 2/20 0.48
CYP2C9 P11712 1/20 0.48
KCNK3 O14649 1/20 0.48
CACNA1F O60840 1/20 0.48
KCNK2 O95069 1/20 0.48
GBA1 P04062 1/20 0.48

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
O-Xylene SCHEMBL8608060 0.84 TSHR (0.53) TSHRACHEMAOAMAOBSCN4A
O-Xylene SCHEMBL8092002 0.83 TSHR (0.59) TSHRACHEMAOAMAOBSCN4A
O-Xylene SCHEMBL27581357 0.83 TSHR (0.67) TSHRACHEMAOAMAOBSCN4A
Biphenyl SCHEMBL27852646 0.79 MAOA (0.52) MAOAMAOBSLC6A4CYP2D6HTR2A
O-Xylene SCHEMBL27888742 0.79 TSHR (0.53) TSHRACHEMAOAMAOBLMNA
O-Xylene SCHEMBL28550267 0.78 TSHR (0.59) TSHRACHEMAOAMAOBSCN4A
O-Xylene SCHEMBL27264239 0.77 TSHR (0.67) TSHRACHEMAOAMAOBCYP3A4
Amphetamine SCHEMBL27912029 0.77 SLC6A2 (0.83) MAOASCN4ASLC6A4CYP2D6TAAR1
Benzene SCHEMBL8507848 0.76 MAOA (0.46) TSHRMAOAMAOBSLC6A4HTR2A
Diphenylmethane SCHEMBL21808635 0.75 TAAR1 (0.60) MAOASLC6A4CYP2D6TAAR1SLC6A2

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-101657481-B Dual component glue NOLAX AG CH 2013-01-09 CN disclosed
CN-101657481-A Dual component glue NOLAX AG CH 2010-02-24 CN disclosed