O-Xylene

O-Xylene

SCHEMBL28079876

C=O.Cc1ccccc1.Cc1ccccc1C.N.[Rn]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.58
TSHR P16473 3/20 0.58
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34

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 SCHEMBL28092006 0.95 ACHE (0.65) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL28079974 0.92 ACHE (0.69) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL28100375 0.90 ACHE (0.52) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL28001453 0.89 ACHE (0.73) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL1088985 0.86 ACHE (0.79) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL11240856 0.86 ACHE (0.79) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL11209551 0.86 ACHE (0.79) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL8910096 0.86 ACHE (0.79) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL10822510 0.86 ACHE (0.79) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL11765114 0.86 ACHE (0.79) ACHETSHRLMNAALOX12CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105776691-A Contain oxygen consumption pollutant waste water control environmental protection clean system 中山市捷信科技服务有限公司 2016-07-20 CN disclosed