O-Xylene

O-Xylene

SCHEMBL3681986

CC1(C)CC(=O)CC(C)(C)P1.Cc1ccccc1C

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
OPRM1 P35372 1/20 0.33
MAPT P10636 3/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
TP53 P04637 1/20 0.32
TTR P02766 1/20 0.32
HPGD P15428 1/20 0.32
MGLL Q99685 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL3685692 0.82 SMN1; SMN2 (0.33) SMN1; SMN2
O-Xylene SCHEMBL3142787 0.66 TSHR (0.53) TSHRACHEALDH1A1MEN1KMT2A
O-Xylene SCHEMBL31325794 0.65 TSHR (0.83) TSHRACHEALDH1A1MAPT
O-Xylene SCHEMBL28284648 0.65 TSHR (0.83) TSHRACHEALDH1A1MAPTHPGD
O-Xylene SCHEMBL2854068 0.65
O-Xylene SCHEMBL10522915 0.65 TSHR (1.00) TSHRACHEALDH1A1MAPT
O-Xylene SCHEMBL11035539 0.65 TSHR (1.00) TSHRACHEALDH1A1MAPT
O-Xylene SCHEMBL8216257 0.65 TSHR (1.00) TSHRACHEALDH1A1MAPT
O-Xylene SCHEMBL772 0.65
O-Xylene SCHEMBL11034038 0.65 TSHR (1.00) TSHRACHEALDH1A1MAPT

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-2794548-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2014-10-29 EP disclosed
WO-2013093472-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2013-06-27 WO disclosed
EP-2167232-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM Lucite International UK Limited (GB) 2010-03-31 EP disclosed
WO-2009010782-A1 A PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2009-01-22 WO disclosed