O-Xylene

O-Xylene

SCHEMBL28071125

C[SiH2]Cl.Cc1ccccc1C

nearest known ligand 0.67

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ACHE P22303 3/20 0.67
ALDH1A1 P00352 4/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ESR1 P03372 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.33

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 SCHEMBL9466816 0.87 TSHR (0.67) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL28634943 0.86 TSHR (0.77) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL6933035 0.82 TSHR (0.83) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL11035539 0.82 TSHR (1.00) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL8216257 0.82 TSHR (1.00) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29385454 0.82
O-Xylene SCHEMBL2854068 0.82
O-Xylene SCHEMBL11034038 0.82 TSHR (1.00) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL10522915 0.82 TSHR (1.00) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL170581 0.82 TSHR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683203-A VINYLSILANES FOR USE IN FUNCTIONALIZED ELASTOMERIC POLYMERS 盛禧奥欧洲有限责任公司 2016-06-15 CN disclosed