P-Xylene

P-Xylene

SCHEMBL11040150

Cc1ccc(C)cc1.O=C(O)OCCOC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
SRD5A2 P31213 1/20 0.43
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.41

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 SCHEMBL6404496 0.91 LMNA (0.50) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11416301 0.89 FFAR1 (0.47) L3MBTL1SMN1; SMN2LMNATDP1SRD5A2
SCHEMBL17311129 0.88 FFAR1 (0.46) L3MBTL1SMN1; SMN2LMNATDP1SRD5A2
SCHEMBL10590347 0.83 L3MBTL1 (0.59) L3MBTL1NPC1RAB9ALMNAKMT2A
P-Xylene SCHEMBL11399447 0.80 LMNA (0.54) L3MBTL1ALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL5369370 0.79 ALDH1A1 (0.50) L3MBTL1ALDH1A1GAANPC1RAB9A
SCHEMBL31006737 0.78 ALDH1A1 (0.50) ALDH1A1GAANPC1LMNAKMT2A
Methyl Alcohol SCHEMBL1326721 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAALMNATDP1
Benzene SCHEMBL11037140 0.78 TDP1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL11850463 0.78 AGXT (0.52) L3MBTL1ALDH1A1GAANPC1RAB9A

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-0059635-B1 EASILY OPENABLE VESSEL CLOSURE AND PROCESS FOR PREPARATION THEREOF TOYO SEIKAN KAISHA LIMITED (JP) 1985-06-05 EP disclosed
US-4397401-A Easily openable vessel closure and process for preparation thereof TOYO SEIKAN KAISHA LTD. (JP) 1983-08-09 US disclosed
EP-0059635-A2 Easily openable vessel closure and process for preparation thereof TOYO SEIKAN KAISHA LIMITED (JP) 1982-09-08 EP disclosed
US-4291085-A HEAT SEALABLE POLYPROPYLENE TOYO SEIKAN KAISHA LIMITED (JP) 1981-09-22 US disclosed