P-Xylene

P-Xylene

SCHEMBL8748749

CC(C)CC(O)CC(C)C.Cc1ccc(C)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
CA7 P43166 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
4-Methylbenzoic Acid SCHEMBL1786349 0.80 ALDH1A1 (0.57) SLC6A2SLC6A4SLC6A3SMN1; SMN2CA1
SCHEMBL22456 0.80 TSHR (0.41) TDP1ANPEPTSHRALDH1A1LMNA
SCHEMBL13263721 0.80 USP2 (0.58) SLC6A2SMN1; SMN2CA1CA2CA4
SCHEMBL12197898 0.78 ACHE (0.46) ACHETDP1SLC6A2SLC6A4SLC6A3
Methyl Alcohol SCHEMBL9179676 0.77 CYP2A6 (0.59) TDP1SMN1; SMN2TSHR
Hydrogen Peroxide SCHEMBL28104525 0.76 RNPEP (0.41) TDP1ANPEPTSHRALDH1A1LMNA
SCHEMBL28217454 0.76 TSHR (0.39) TDP1ANPEPTSHRALDH1A1LMNA
SCHEMBL17642229 0.76 TSHR (0.39) TDP1ANPEPTSHRALDH1A1LMNA
P-Xylene SCHEMBL8984454 0.76 ACHE (0.61) ACHETDP1SLC6A2SMN1; SMN2CA1
P-Xylene SCHEMBL27676531 0.75 TSHR (0.56) ACHETDP1HPGDSMN1; SMN2CA1

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
EP-0597890-B1 REMOVAL OF HYDROGEN SULPHIDE SOLVAY INTEROX LTD (GB) 1997-03-12 EP disclosed
EP-0597890-A1 REMOVAL OF HYDROGEN SULPHIDE. SOLVAY INTEROX LTD (GB) 1994-05-25 EP disclosed
WO-1993002961-A1 REMOVAL OF HYDROGEN SULPHIDE SOLVAY INTEROX LIMITED (GB) 1993-02-18 WO disclosed
US-3998937-A PRODUCTION OF HYDROGEN PEROXIDE BY OXIDATION AND REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-21 US disclosed
US-3962288-A SOLVENT SOLUBILITY, HYDROGEN PEROXIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed