P-Xylene

P-Xylene

SCHEMBL7126322

Cc1ccc(C)cc1.Cc1ccc(C=O)cc1.Cc1ccc(COC(=O)c2ccc(C)cc2)cc1.O=C(O)c1ccc(CO)cc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 7/20 0.47
SRD5A2 P31213 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.41
RXRA P19793 1/20 0.41

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
4-Methylbenzoic Acid SCHEMBL7126317 0.88 ALDH1A1 (0.61) MAPTALDH1A1SRD5A2KMT2AMEN1
SCHEMBL28180708 0.80 KMT2A (0.56) MAPTALDH1A1SRD5A2KMT2AMEN1
SCHEMBL6653763 0.79 KMT2A (0.71) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13932521 0.79 KMT2A (0.71) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
Aes-103 SCHEMBL16684591 0.79 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL380997 0.78 KMT2A (0.71) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL31268615 0.78 KMT2A (0.71) MAPTALDH1A1KMT2AMEN1HPGD
4-Methylbenzoic Acid SCHEMBL11280739 0.78 ALDH1A1 (0.79) MAPTALDH1A1SRD5A2KMT2AMEN1
Terephthalic Acid SCHEMBL6473290 0.78 ALDH1A1 (0.71) MAPTALDH1A1SRD5A2KMT2AMEN1
Terephthalic Acid SCHEMBL11366672 0.78 ALDH1A1 (0.79) MAPTALDH1A1SRD5A2KMT2AMEN1

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-20030073206-A1 Use of xylene monooxygenase for the oxidation of substituted monocyclic aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-17 US disclosed