O-Xylene

O-Xylene

SCHEMBL6565848

CC1CCCCC1.Cc1ccccc1C

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
P2RX7 Q99572 3/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.38
EPHX1 P07099 1/20 0.38
HTR2C P28335 1/20 0.38

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 SCHEMBL479301 0.83 ACHE (0.52) ACHETSHRLMNAALOX12
O-Xylene SCHEMBL8504709 0.82 ACHE (0.53) ACHETSHRNPC1RAB9ASIGMAR1
O-Xylene SCHEMBL289634 0.81 TSHR (0.77) ACHETSHRNPC1RAB9ALMNA
O-Xylene SCHEMBL4822024 0.79 ACHE (0.56) ACHETSHRNPC1RAB9ASIGMAR1
O-Xylene SCHEMBL8390461 0.78 TSHR (0.48) ACHETSHRNPC1RAB9ASIGMAR1
Benzene SCHEMBL5070919 0.78 ACHE (0.39) ACHEEPHX1
M-Xylene SCHEMBL28800022 0.76 ACHE (0.55) ACHENPC1RAB9ALMNAALOX12
Chlorobenzene SCHEMBL1275085 0.76 TSHR (0.50) ACHETSHRLMNA
O-Xylene SCHEMBL16581594 0.76 TSHR (0.46) ACHETSHRNPC1RAB9ASIGMAR1
Phenol SCHEMBL11503021 0.76 CA12 (0.50) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661959-B1 FLUID APPLICATION LIQUID AND FLUID APPLICATION TOOL MITSUBISHI PENCIL CO (JP) 2013-02-27 EP disclosed
EP-1402524-A2 SOLVENT COMPOSITION AND PROCESS FOR MANUFACTURING AN OPTICAL RECORDING MEDIUM USING SAID COMPOSITION AND OPTICAL RECORDING MEDIUM Ciba SC Holding AG (CH) 2004-03-31 EP disclosed
WO-2003034146-A2 SOLVENT COMPOSITION AND PROCESS FOR MANUFACTURING AN OPTICAL RECORDING MEDIUM USING SAID COMPOSITION AND OPTICAL RECORDING MEDIUM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 WO disclosed