O-Xylene

O-Xylene

SCHEMBL4796657

CCC=CCC.Cc1ccccc1C

nearest known ligand 0.59

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ACHE P22303 2/20 0.59
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL29373824 0.83 ALDH1A1 (0.48) TSHRACHETAAR1ALDH1A1MAPT
SCHEMBL1276606 0.83 ALDH1A1 (0.48) TSHRACHETAAR1ALDH1A1MAPT
SCHEMBL2313488 0.83 ALDH1A1 (0.48) TSHRACHETAAR1ALDH1A1MAPT
SCHEMBL1879330 0.81 TAAR1 (0.48) TSHRACHETAAR1ALDH1A1MAPT
SCHEMBL1879329 0.81 TAAR1 (0.48) TSHRACHETAAR1ALDH1A1MAPT
O-Xylene SCHEMBL11273837 0.81 HTR2A (0.47) TSHRACHEALDH1A1KMT2A
O-Xylene SCHEMBL28108596 0.80 TSHR (0.56) TSHRACHETAAR1ALDH1A1CA1
O-Xylene SCHEMBL11054463 0.80 TSHR (0.56) TSHRACHETAAR1ALDH1A1CA1
O-Xylene SCHEMBL28897630 0.78 TSHR (0.71) TSHRACHETAAR1ALDH1A1CA1
O-Xylene SCHEMBL8216257 0.77 TSHR (1.00) TSHRACHETAAR1ALDH1A1CA1

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
EP-1990365-A1 Resin composition Sony Corporation (JP) 2008-11-12 EP disclosed
US-4465765-A CONTAINING POLYALKYLPIPERIDINE DERIVATIVE OF DIPHENOLALKANOIC ACID AS OPTICAL STABILIZER CIBA-GEIGY A.G. (CH) 1984-08-14 US disclosed