O-Xylene

O-Xylene

SCHEMBL28100375

C=O.Cc1ccccc1.Cc1ccccc1C.N.O=S=O.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BCHE P06276 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 SCHEMBL28079876 0.90 ACHE (0.58) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL28092006 0.90 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL21051750 0.84 ACHE (0.73) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL22264082 0.84 ACHE (0.73) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL27514334 0.82 ACHE (0.69) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL28079974 0.82 ACHE (0.69) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL1088985 0.82 ACHE (0.79) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL2952270 0.82
O-Xylene SCHEMBL11209551 0.82 ACHE (0.79) ACHETSHRLMNAALOX12CES2
O-Xylene SCHEMBL452170 0.82 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-205569540-U Portable high -efficient air purifier of scarf formula 河北大学 2016-09-14 CN disclosed