O-Xylene

O-Xylene

SCHEMBL28521237

COC(=O)c1cccc(Cl)c1N.Cc1ccccc1C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 2/20 0.53
CFTR P13569 1/20 0.53
PTGS2 P35354 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 4/20 0.46
NR4A2 P43354 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
F2 P00734 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL647085 0.92 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRPTGS2LMNA
SCHEMBL29601872 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL228051 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRLMNATSHR
Methyl Anthranilate SCHEMBL28199302 0.79 ALDH1A1 (0.74) ALDH1A1HSD17B10CFTRLMNATSHR
Dimethyl Phthalate SCHEMBL28079217 0.79 TSHR (0.63) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL2895994 0.79 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL15608370 0.79 MAPK14 (0.50) ALDH1A1LMNAKMT2AGAAMYC
SCHEMBL110117 0.78 ALDH1A1 (0.60) ALDH1A1HSD17B10LMNATSHRKMT2A
SCHEMBL196555 0.77 LMNA (0.61) ALDH1A1HSD17B10CFTRPTGS2LMNA
SCHEMBL30488606 0.77 LMNA (0.61) ALDH1A1HSD17B10CFTRPTGS2LMNA

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
CN-112400883-A Cassava field post-emergence herbicide with efficient haloxyfop-methyl as effective component 海南大学 2021-02-26 CN disclosed