O-Xylene

O-Xylene

SCHEMBL27990761

C=C=O.Cc1ccccc1C

nearest known ligand 0.62

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ACHE P22303 2/20 0.62
ALDH1A1 P00352 5/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.36
MGLL Q99685 1/20 0.36

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 SCHEMBL3260339 0.87 TSHR (0.71) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL26853 0.83 TSHR (0.77) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL3683886 0.81 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29802653 0.81 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29297 0.81 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL163751 0.81 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL31425598 0.81 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29860873 0.81 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29851191 0.81 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29265043 0.80 TSHR (0.71) TSHRACHEALDH1A1CA1CA2

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
CN-104608226-A Paint woody printing blank and manufacturing method thereof DONGFENG MOTOR CORP 2015-05-13 CN claimed
CN-104608226-B Paint woody printing blank and manufacturing method thereof 东风汽车公司 2017-04-12 CN disclosed
CN-104608226-A Paint woody printing blank and manufacturing method thereof DONGFENG MOTOR CORP 2015-05-13 CN disclosed