O-Xylene

O-Xylene

SCHEMBL28201006

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 6/20 0.40
ALDH1A1 P00352 5/20 0.40
CTBP2 P56545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
AKR1C3 P42330 1/20 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
O-Xylene SCHEMBL31491254 0.89 TSHR (0.50) ERCC5FEN1TSHRACHEHPGD
O-Xylene SCHEMBL5606526 0.89 TSHR (0.50) ERCC5FEN1TSHRACHEHPGD
O-Xylene SCHEMBL29189113 0.89 TSHR (0.50) ERCC5FEN1TSHRACHEHPGD
O-Xylene SCHEMBL8717730 0.89 TSHR (0.50) ERCC5FEN1TSHRACHEHPGD
Methacrylic Acid SCHEMBL27795156 0.87 ALDH1A1 (0.50) ERCC5FEN1HPGDALDH1A1KDM4E
Toluene SCHEMBL28087906 0.86 LMNA (0.46) TSHRACHEHPGDALDH1A1KDM4E
Biphenyl SCHEMBL28832981 0.83 SMN1; SMN2 (0.48) ERCC5FEN1TSHRHPGDALDH1A1
Methacrylic Acid SCHEMBL28201576 0.83 TRPA1 (0.55) ERCC5FEN1TSHRHPGDALDH1A1
Methacrylic Acid SCHEMBL28145674 0.82 TDP1 (0.38) TSHRHPGDALDH1A1KDM4EAKR1C3
Phenol SCHEMBL28554972 0.82 TDP1 (0.46) TSHRHPGDALDH1A1KDM4ECES2

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-107722181-A It is chemically crosslinked the preparation method of nanometer composite epoxy resin 成都昂多生物技术有限责任公司 2018-02-23 CN claimed