O-Xylene

O-Xylene

SCHEMBL10705804

CC=C(C)C(=O)O.Cc1ccccc1C

nearest known ligand 0.54

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
TSHR P16473 1/20 0.46
ACHE P22303 1/20 0.46
APEX1 P27695 7/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C9 P11712 1/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CTBP2 P56545 1/20 0.39

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 SCHEMBL11496803 0.92 AKR1C3 (0.47) AKR1C3TSHRACHEAPEX1MAPT
Toluene SCHEMBL11616838 0.86 AKR1C3 (0.54) AKR1C3TSHRACHEAPEX1MAPT
SCHEMBL5491319 0.85 APEX1 (0.45) AKR1C3APEX1HPGD
Biphenyl SCHEMBL8033778 0.84 AKR1C3 (0.56) AKR1C3APEX1MAPTALDH1A1CYP2C9
SCHEMBL11880751 0.83 AKR1C3 (0.43) AKR1C3TSHRACHEAPEX1MAPT
SCHEMBL8928653 0.83 AKR1C3 (0.43) AKR1C3TSHRACHEAPEX1MAPT
Benzene SCHEMBL28700433 0.83 AKR1C3 (0.50) AKR1C3APEX1MAPTCYP2C9HTT
Phenol SCHEMBL809327 0.82 AKR1C3 (0.54) AKR1C3TSHRAPEX1MAPTCYP2C9
Catechol SCHEMBL14816149 0.82 AKR1C3 (0.54) AKR1C3APEX1MAPTALDH1A1HPGD
Phenol SCHEMBL1276024 0.82 AKR1C3 (0.54) AKR1C3TSHRAPEX1MAPTCYP2C9

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
US-11029597-B2 Method for producing pattern laminate, method for producing reversal pattern, and pattern laminate FUJIFILM CORPORATION (JP) 2021-06-08 US disclosed
US-20180364566-A1 METHOD FOR PRODUCING PATTERN LAMINATE, METHOD FOR PRODUCING REVERSAL PATTERN, AND PATTERN LAMINATE FUJIFILM CORPORATION (JP) 2018-12-20 US disclosed
CN-108026361-A Polyester resin composition and its manufacture method 三菱工程塑料株式会社 2018-05-11 CN disclosed
EP-0279634-A1 Fire-resistant safety glass Miller Construction Limited (GB) 1988-08-24 EP disclosed