O-Xylene

O-Xylene

SCHEMBL16048907

C=CC.Cc1ccccc1C.c1ccccc1

nearest known ligand 0.62

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
ACHE P22303 3/20 0.62
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 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
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
AKT1 P31749 1/20 0.35
ESR1 P03372 1/20 0.35

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 SCHEMBL3673577 0.97 TSHR (0.67) TSHRACHEALDH1A1LMNAALOX12
O-Xylene SCHEMBL16892914 0.94 TSHR (0.62) TSHRACHEALDH1A1LMNAALOX12
P-Xylene SCHEMBL11590506 0.88 ACHE (0.56) TSHRACHEALDH1A1LMNAALOX12
P-Xylene SCHEMBL11664570 0.86 ACHE (0.53) TSHRACHEALDH1A1LMNAALOX12
O-Xylene SCHEMBL7624343 0.84 TSHR (0.67) TSHRACHEALDH1A1LMNAALOX12
O-Xylene SCHEMBL17318270 0.83 TSHR (0.91) TSHRACHEALDH1A1LMNAALOX12
O-Xylene SCHEMBL3640206 0.83 TSHR (0.91) TSHRACHEALDH1A1LMNAALOX12
O-Xylene SCHEMBL11253661 0.83 TSHR (0.91) TSHRACHEALDH1A1LMNAALOX12
O-Xylene SCHEMBL1077768 0.83 TSHR (0.91) TSHRACHEALDH1A1LMNAALOX12
O-Xylene SCHEMBL8642954 0.81 TSHR (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103906725-B The method being prepared aromatic hydrocarbons and alkene by the hydrocarbon ils containing a large amount of polynuclear aromatic compounds SK新技术株式会社 2016-08-24 CN disclosed
US-9376353-B2 Method of producing aromatic hydrocarbons and olefin from hydrocarbonaceous oils comprising large amounts of polycyclic aromatic compounds SK INNOVATION CO., LTD. (KR) 2016-06-28 US disclosed
US-20140275671-A1 METHOD OF PRODUCING AROMATIC HYDROCARBONS AND OLEFIN FROM HYDROCARBONACEOUS OILS COMPRISING LARGE AMOUNTS OF POLYCYCLIC AROMATIC COMPOUNDS SK INNOVATION CO., LTD. (KR) 2014-09-18 US disclosed
CN-103906725-A Method of producing aromatic hydrocarbons and olefin from hydrocarbonaceous oils comprising large amounts of polycyclic aromatic compounds SK INNOVATION CO LTD 2014-07-02 CN disclosed