O-Xylene

O-Xylene

SCHEMBL7090404

Cc1ccccc1C.N=C=O.N=C=O.[HH]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ACHE P22303 2/20 0.59
ALDH1A1 P00352 6/20 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
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 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
O-Xylene SCHEMBL29851191 0.97 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29860873 0.97 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL163751 0.97 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL3683886 0.97 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29802653 0.97 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL31425598 0.97 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL29297 0.97 TSHR (0.62) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL1048806 0.94 TSHR (0.59) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL27602605 0.94 TSHR (0.59) TSHRACHEALDH1A1CA1CA2
O-Xylene SCHEMBL27555239 0.94 TSHR (0.59) TSHRACHEALDH1A1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022080491-A1 POLYCARBONATE POLYOL AND METHOD FOR PRODUCING SAME, COMPOSITION AND METHOD FOR PRODUCING SAME, URETHANE RESIN AND AQUEOUS URETHANE RESIN DISPERSION 東ソー株式会社 2022-04-21 WO disclosed
US-20030165666-A1 Filler lens and production method therefor TOMOEGAWA PAPER CO., LTD. 2003-09-04 US disclosed
US-6102532-A INK JET PRINTER RESERVOIR COMPRISING A CURED POLYURETHANE FOAM MADE USING A POLYOL COMPRISING A NON-GRAFT POLYETHER POLYOL OF GIVEN HYDROXYL VALUE, AND FOAM STABILIZER OF GIVEN SURFACE TENSION INOAC CORPORATION (JP) 2000-08-15 US disclosed