O-Xylene

O-Xylene

SCHEMBL7050723

Cc1cccc2ccccc12.Cc1ccccc1C

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 8/20 0.94
▸ ALDH1A1 P00352 5/20 0.94
▸ CYP1A2 P05177 9/20 0.63
▸ HSD17B10 Q99714 5/20 0.61
▸ HPGD P15428 4/20 0.61
▸ TSHR P16473 6/20 0.56
▸ ACHE P22303 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ HPRT1 P00492 1/20 0.46
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL10684163 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL7517852 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL3075 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL29903166 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Methane SCHEMBL16097338 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL7539708 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Hydrochloric Acid SCHEMBL6705962 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL21796071 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL14953945 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD
Fluoride SCHEMBL9159854 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2HSD17B10HPGD

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
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 — — EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 — — US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 — — EP disclosed
Send feedback