O-Xylene

O-Xylene

SCHEMBL28016180

Cc1ccccc1C.O=C(O)C(Cl)(Cl)Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.50
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 5/20 0.41
MYC P01106 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ERCC5 P28715 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
Toluene SCHEMBL7901170 0.85 LMNA (0.55) ALDH1A1TSHRCYP1A2ACHETP53
O-Xylene SCHEMBL7498508 0.81 TSHR (0.67) ALDH1A1TSHRACHECES2CES1
O-Xylene SCHEMBL28509799 0.81 TSHR (0.67) ALDH1A1TSHRACHECES2CES1
Trichloroacetic Acid SCHEMBL5874544 0.80 KMT2A (0.39) ALDH1A1TSHRCYP1A2TP53HPGD
O-Xylene SCHEMBL10968833 0.78 TSHR (0.62) ALDH1A1TSHRACHECES2CES1
O-Xylene SCHEMBL7156831 0.78 TSHR (0.62) ALDH1A1TSHRACHECES2CES1
O-Xylene SCHEMBL28603302 0.78 TSHR (0.62) ALDH1A1TSHRACHECES2CES1
O-Xylene SCHEMBL1723905 0.78 TSHR (0.62) ALDH1A1TSHRACHECES2CES1
O-Xylene SCHEMBL7648216 0.78 TSHR (0.62) ALDH1A1TSHRACHECES2CES1
O-Xylene SCHEMBL8940843 0.78 TSHR (0.62) ALDH1A1TSHRACHECES2CES1

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-114921065-B PBT composite material and preparation method and application thereof 上海金发科技发展有限公司 2024-03-19 CN disclosed
CN-111825802-B Ethylene oxide-octene copolymer composition and preparation method thereof 金发科技股份有限公司 2022-09-27 CN disclosed
CN-114921065-A PBT composite material and preparation method and application thereof 上海金发科技发展有限公司 2022-08-19 CN disclosed
CN-110751986-A Calculation model and detection method of polyolefin grafting rate based on artificial neural network 山东省科学院能源研究所 2020-02-04 CN disclosed
CN-104667891-A Preparation method of chelate fiber material for adsorbing heavy metal in water NANJING UNIVERSITY OF TECHNOLOGY 2015-06-03 CN disclosed