P-Xylene

P-Xylene

SCHEMBL10349865

CCCCC(CC)CO.Cc1ccc(C)cc1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.72
▸ LMNA P02545 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 5/20 0.42
▸ CA2 P00918 3/20 0.42
▸ TSHR P16473 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL16324 0.85 — —
SCHEMBL8420801 0.85 — —
SCHEMBL6249719 0.85 ALDH1A1 (1.00) ALDH1A1LMNATDP1CYP3A4CA2
SCHEMBL9492501 0.85 — —
O-Xylene SCHEMBL10349866 0.85 ALDH1A1 (0.67) ALDH1A1LMNATDP1CYP3A4CA2
P-Xylene SCHEMBL11702881 0.83 ALDH1A1 (0.50) ALDH1A1LMNATDP1CYP3A4CA2
Benzene SCHEMBL28267328 0.83 ALDH1A1 (0.86) ALDH1A1LMNATDP1CYP3A4CA2
SCHEMBL23087843 0.83 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4CA2
SCHEMBL11113794 0.83 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4CA2
Butane SCHEMBL21384927 0.83 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4CA2

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
EP-0211722-B1 SULFONATED AND SULFURIZED DETERGENT DISPERSANT ADDITIVES FOR LUBRICANT OILS OROGIL (FR) 1990-05-23 — — EP claimed
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