O-Xylene

O-Xylene

SCHEMBL28108596

CCC=O.Cc1ccccc1C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ACHE P22303 2/20 0.56
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 1/20 0.50
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ELANE P08246 1/20 0.36
CYP3A4 P08684 3/20 0.36
LMNA P02545 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
DHODH Q02127 1/20 0.35
CYP1A2 P05177 2/20 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
Orthocresol SCHEMBL22719841 0.84 TRPA1 (0.43) TSHRACHEALDH1A1TDP1MAPK1
Toluene SCHEMBL27361671 0.81 LMNA (0.58) TSHRACHEALDH1A1TDP1MAPK1
O-Xylene SCHEMBL28991929 0.81 TSHR (0.53) TSHRACHEALDH1A1TDP1CA1
Propionaldehyde SCHEMBL27932171 0.80 CYP2A6 (0.68) TSHRALDH1A1TDP1CYP3A4LMNA
Naphthalene SCHEMBL9538913 0.80 ALDH1A1 (0.53) TSHRALDH1A1TDP1MAPK1MAPT
O-Xylene SCHEMBL4796657 0.80 TSHR (0.59) TSHRACHEALDH1A1TDP1CA1
O-Xylene SCHEMBL11804366 0.79 TSHR (0.67) TSHRACHEALDH1A1TDP1CA1
Iodobenzene SCHEMBL27464785 0.79 ALDH1A1 (0.45) TSHRALDH1A1TDP1MAPK1LMNA
Biphenyl SCHEMBL27273593 0.78 ALDH1A1 (0.50) TSHRALDH1A1TDP1MAPK1MAPT
Naphthalene SCHEMBL27832233 0.78 ALDH1A1 (0.50) TSHRALDH1A1TDP1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459415-B Oligomeric silsesquioxane copolymer and Photosensitve resin composition including the oligomeric silsesquioxane copolymer 胡网加成股份有限公司 2019-09-24 CN disclosed
CN-109765754-A Solidification compound, cured film forming method, solidfied material, the cured film and transparent optical component being patterned 东京应化工业株式会社 2019-05-17 CN disclosed
CN-109471330-A Photosensitive composite and Photoepolymerizationinitiater initiater used in it 东京应化工业株式会社 2019-03-15 CN disclosed
CN-109468077-A Semiconductor wafer with protection adhesive tape 日东电工株式会社 2019-03-15 CN disclosed
CN-104649580-B The processing method of chemically reinforced glass substrate 东京应化工业株式会社 2019-01-04 CN disclosed
CN-102209916-B Optical sheet 大日本印刷株式会社 2017-07-11 CN disclosed
CN-106588778-A Preparation process of dexmedetomidine hydrochloride for ICU (intensive care unit) sedation and analgesia 青岛辰达生物科技有限公司 2017-04-26 CN disclosed
CN-106459415-A Polysilsesquioxane copolymer and photosensitive resin composition containing same 胡网加成股份有限公司 2017-02-22 CN disclosed