O-Xylene

O-Xylene

SCHEMBL7933555

CCc1ccccc1C.Cc1ccccc1C.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HPGD P15428 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CTBP2 P56545 1/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ SHBG P04278 1/20 0.44
▸ GABRA1 P14867 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CHRM2 P08172 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
O-Xylene SCHEMBL9356149 0.97 TSHR (0.56) TSHRACHETAAR1HPGDALDH1A1
Hydrogen Peroxide SCHEMBL11532413 0.95 ALDH1A1 (0.52) TSHRACHETAAR1HPGDALDH1A1
SCHEMBL29458957 0.95 — —
SCHEMBL5489439 0.95 TAAR1 (0.54) TSHRACHETAAR1HPGDALDH1A1
SCHEMBL40576 0.95 — —
Ammonia Solution, Strong SCHEMBL5005672 0.92 TAAR1 (0.52) TSHRACHETAAR1HPGDALDH1A1
Ammonia Solution, Strong SCHEMBL9453011 0.92 TAAR1 (0.52) TSHRACHETAAR1HPGDALDH1A1
SCHEMBL5157331 0.92 TAAR1 (0.52) TSHRACHETAAR1HPGDALDH1A1
O-Xylene SCHEMBL27995118 0.92 TSHR (0.56) TSHRACHETAAR1HPGDALDH1A1
SCHEMBL31498537 0.92 TAAR1 (0.52) TSHRACHETAAR1HPGDALDH1A1

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
US-6193893-B1 Stripping of contaminants from water GDT CORPORATION 2001-02-27 — — US disclosed
WO-1999048588-A1 STRIPPING OF CONTAMINANTS FROM WATER MAZZEI ANGELO L (US) 1999-09-30 — — WO disclosed
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