O-Xylene

O-Xylene

SCHEMBL28188652

C1CNC1.Cc1ccccc1C

nearest known ligand 0.62

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.62
TSHR P16473 1/20 0.62
HTR2C P28335 3/20 0.48
ADRB1 P08588 2/20 0.48
LMNA P02545 1/20 0.42
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
OPRM1 P35372 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 SCHEMBL27991704 0.97 TSHR (0.59) ACHETSHRHTR2CADRB1LMNA
O-Xylene SCHEMBL28069090 0.92 TSHR (0.53) ACHETSHRHTR2CADRB1LMNA
O-Xylene SCHEMBL17698412 0.88 ACHE (0.62) ACHETSHRHTR2CADRB1LMNA
O-Xylene SCHEMBL9614719 0.88 ACHE (0.62) ACHETSHRHTR2CADRB1LMNA
O-Xylene SCHEMBL289634 0.83 TSHR (0.77) ACHETSHRLMNAALDH1A1CA1
O-Xylene SCHEMBL25401001 0.83 TSHR (0.91) ACHETSHRLMNAALDH1A1CA1
O-Xylene SCHEMBL9420966 0.83 TSHR (0.91) ACHETSHRADRB1LMNAALDH1A1
O-Xylene SCHEMBL25404325 0.83
O-Xylene SCHEMBL9420939 0.83
O-Xylene SCHEMBL28284648 0.79 TSHR (0.83) ACHETSHRLMNAALDH1A1CA1

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-107431137-A Functional layer formation composition and its manufacture method, the manufacture method of organic EL element, organic el device, electronic equipment 精工爱普生株式会社 2017-12-01 CN disclosed