P-Xylene

P-Xylene

SCHEMBL8750425

CCC(C)OC(C)CC.Cc1ccc(C)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNA7 P36544 1/20 0.37
AGXT P21549 2/20 0.36
MAOA P21397 2/20 0.35
CA7 P43166 2/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.35
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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 SCHEMBL9233308 0.88 LMNA (0.50) ACHETDP1MAPTALDH1A1
SCHEMBL8750605 0.83 SMN1; SMN2 (0.39) TDP1POLBALDH1A1
SCHEMBL14000783 0.80
SCHEMBL147241 0.80
SCHEMBL5791362 0.80
SCHEMBL13064360 0.78 ACHE (0.42) ACHEMAPTALDH1A1
SCHEMBL8263616 0.78 ACHE (0.42) ACHEMAPTALDH1A1
SCHEMBL25513374 0.78 ACHE (0.42) ACHEMAPTALDH1A1
SCHEMBL14573562 0.78 AGXT (0.42) AGXTMAOBIDO1CA2CA1
Benzene SCHEMBL7448603 0.77 MAPK1 (0.40) MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed