P-Xylene

P-Xylene

SCHEMBL28856424

Cc1ccc(C)cc1.OCCO.OCCO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.45
CA2 P00918 2/20 0.45
LMNA P02545 2/20 0.45
IDO1 P14902 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
ORAI1 Q96D31 1/20 0.45
ORAI2 Q96SN7 1/20 0.45
ORAI3 Q9BRQ5 1/20 0.45
TRPV6 Q9H1D0 1/20 0.45
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43

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 SCHEMBL109385 1.00 ACHE (0.61) ACHETDP1GAAALDH1A1CA2
P-Xylene SCHEMBL4762911 0.96 ACHE (0.57) ACHETDP1GAAALDH1A1CA2
P-Xylene SCHEMBL235089 0.90 ACHE (0.50) ACHETDP1GAAALDH1A1CA2
P-Xylene SCHEMBL4079357 0.86 ACHE (0.53) ACHETDP1GAAALDH1A1CA2
P-Xylene SCHEMBL28321095 0.85 ACHE (0.61) ACHETDP1GAAALDH1A1CA2
P-Xylene SCHEMBL28248643 0.85 ACHE (0.61) ACHETDP1GAAALDH1A1CA2
P-Xylene SCHEMBL9720606 0.85 ACHE (0.61) ACHETDP1GAAALDH1A1CA2
P-Xylene SCHEMBL4257237 0.85 ACHE (0.61) ACHETDP1GAAALDH1A1CA2
Toluene SCHEMBL409208 0.83 ACHE (0.69) ACHETDP1ALDH1A1LMNACES2
P-Xylene SCHEMBL11117605 0.83 ACHE (0.50) ACHETDP1GAAALDH1A1CA2

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-107709483-A Curable film-forming composition containing lithium silicate as corrosion inhibitor and multilayer coated metal substrate PRC-迪索托国际公司 2018-02-16 CN disclosed