P-Xylene

P-Xylene

SCHEMBL28480623

COC.Cc1ccc(C)cc1.Oc1ccccc1

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.60
TDP1 Q9NUW8 3/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
GLA P06280 1/20 0.58
CA3 P07451 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HPGD P15428 1/20 0.42
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42

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 SCHEMBL599887 0.92 ACHE (0.71) ACHETDP1CA12CA1CA2
P-Cresol SCHEMBL2330591 0.89 ACHE (0.77) ACHETDP1CA12CA1CA2
P-Xylene SCHEMBL10662045 0.89 ACHE (0.67) ACHETDP1CA12CA1CA2
P-Cresol SCHEMBL1537135 0.89 ACHE (0.77) ACHETDP1CA12CA1CA2
Phenol SCHEMBL547014 0.89 CA2 (0.73) TDP1CA12CA1CA2GLA
Phenol SCHEMBL3855191 0.89 CA2 (0.73) TDP1CA12CA1CA2GLA
SCHEMBL18324299 0.86 ACHE (0.72) ACHETDP1CA12CA1CA2
P-Cresol SCHEMBL184322 0.86 ACHE (0.81) ACHETDP1CA12CA1CA2
Toluene SCHEMBL5712879 0.86 ACHE (0.69) ACHETDP1CA12CA1CA2
Toluene SCHEMBL8072659 0.86 ACHE (0.69) ACHETDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801397-B Paste adhesive composition and semiconductor device 住友电木株式会社 2021-08-20 CN disclosed
CN-111801397-A Paste adhesive composition and semiconductor device 住友电木株式会社 2020-10-20 CN disclosed