P-Xylene

P-Xylene

SCHEMBL27979656

C1COCCO1.Cc1ccc(C)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
TTR P02766 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKR1C3 P42330 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 3/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41

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
P-Xylene SCHEMBL21806075 0.87 ACHE (0.50) ACHETDP1ALDH1A1CA1CA2
P-Xylene SCHEMBL27959707 0.86 ACHE (0.57) ACHETDP1ALDH1A1CA1CA2
Toluene SCHEMBL4458162 0.84 LMNA (0.65) ACHETDP1ALDH1A1LMNACRHBP
Toluene SCHEMBL10611921 0.84 LMNA (0.65) ACHETDP1ALDH1A1LMNACRHBP
P-Xylene SCHEMBL1332978 0.84 ALDH1A1 (0.47) ACHETDP1ALDH1A1CYP1A2CYP2C9
Toluene SCHEMBL10900065 0.84 LMNA (0.65) ACHETDP1ALDH1A1LMNACRHBP
Toluene SCHEMBL1573659 0.84 LMNA (0.65) ACHETDP1ALDH1A1LMNACRHBP
Toluene SCHEMBL11479355 0.82 LMNA (0.61) ACHETDP1ALDH1A1LMNACRHBP
P-Cresol SCHEMBL7169068 0.82 ACHE (0.72) ACHETDP1ALDH1A1CA1CA2
Oxirane SCHEMBL1160424 0.82 ACHE (0.72) ACHETDP1ALDH1A1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356084-A Preparation method of benzoxazine compound SUZHOU TAIHU ELECTRIC NEW MATERIAL CO LTD 2015-02-18 CN claimed
CN-104177579-A Preparation method of benzoxazine compound SUZHOU TAIHU ELECTRIC NEW MATERIAL CO LTD 2014-12-03 CN claimed
CN-104356084-B A kind of method for preparing benzoxazine compound 苏州太湖电工新材料股份有限公司 2017-07-28 CN disclosed
CN-104177579-B The preparation method of a kind of benzoxazine compounds 苏州太湖电工新材料股份有限公司 2016-06-15 CN disclosed
CN-104356084-A Preparation method of benzoxazine compound SUZHOU TAIHU ELECTRIC NEW MATERIAL CO LTD 2015-02-18 CN disclosed
CN-104177579-A Preparation method of benzoxazine compound SUZHOU TAIHU ELECTRIC NEW MATERIAL CO LTD 2014-12-03 CN disclosed