O-Xylene

O-Xylene

SCHEMBL8556899

Cc1ccccc1C.N#CO

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
ACHE P22303 2/20 0.62
ALDH1A1 P00352 5/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA7 P43166 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
TRPA1 O75762 2/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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 SCHEMBL27496500 0.90 TSHR (0.67) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL27738530 0.87 CA12 (0.52) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL1443689 0.84 TSHR (0.67) TSHRACHEALDH1A1CA1CA2
Orthocresol SCHEMBL1883037 0.84 TRPA1 (0.48) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL14844660 0.83 TSHR (0.77) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL30184332 0.83
O-Xylene SCHEMBL22719990 0.83 TSHR (0.91) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL27492161 0.83 TSHR (0.91) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL11875587 0.83
O-Tolylamine SCHEMBL5535620 0.82 TDP1 (0.68) TSHRACHEALDH1A1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110152620-A A kind of preparation method of biodegradable fiber element based oil-absorption material 徐仁贵 2019-08-23 CN disclosed
CN-104448820-B Cyanate modified composition, cyanate prepreg, metamaterial substrate, its preparation method and the Meta Materials including it 深圳光启创新技术有限公司 2017-09-26 CN disclosed
CN-104448820-A Cyanate ester modified composition, cyanate ester prepreg, meta-material substrate, a preparation method thereof and meta-material containing the same SHENZHEN GUANGQI INNOVATIVE TECHNOLOGY CO LTD 2015-03-25 CN disclosed
US-5834190-A AMPLIFYING MICROSATELLITE STRUCTURES THE JOHNS HOPKINS UNVIERSITY (US) 1998-11-10 US disclosed
US-5702886-A Chromosome I8Q loss and prognosis in colorectal cancer THE JOHNS HOPKINS UNIVERSITY (US) 1997-12-30 US disclosed