O-Xylene

O-Xylene

SCHEMBL10486830

Cc1ccccc1C.O=C1CCCO1

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
TSHR P16473 3/20 0.42
ACHE P22303 3/20 0.42
ALDH1A1 P00352 4/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ALOX5 P09917 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 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
O-Xylene SCHEMBL27903694 0.92 CA1 (0.61) CA1CA9TSHRACHEALDH1A1
Toluene SCHEMBL17041894 0.86 CA1 (0.52) CA1CA9TSHRACHEALDH1A1
Biphenyl SCHEMBL27817926 0.81 CA1 (0.56) CA1CA9TSHRALDH1A1TP53
Butyrolactone SCHEMBL29433925 0.79
SCHEMBL19638361 0.79 CA1 (0.82) CA1CA9TSHRALDH1A1TP53
Butyrolactone SCHEMBL27720055 0.79 CA1 (0.82) CA1CA9TSHRALDH1A1TP53
Butyrolactone SCHEMBL9421121 0.79
Butyrolactone SCHEMBL1271043 0.79 CA1 (0.82) CA1CA9TSHRALDH1A1TP53
Butyrolactone SCHEMBL13481 0.79
1,2-Dimethoxybenzene SCHEMBL12979050 0.79 CA1 (0.48) CA1CA9ACHEALDH1A1CTNNB1

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
US-4883730-A Method for manufacturing heat-stable structured layers based on expoxy resin SIEMENS AKTIENGESELLSCHAFT (DE) 1989-11-28 US disclosed