P-Xylene

P-Xylene

SCHEMBL9305936

CCCCOC(=O)CCCCCO.Cc1ccc(C)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.56
DNM1 Q05193 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MGLL Q99685 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PAM P19021 2/20 0.44
NAAA Q02083 1/20 0.43
ACHE P22303 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 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
Toluene SCHEMBL10334155 0.93 DGKA (0.51) DGKADNM1MEN1KMT2AMGLL
SCHEMBL12768434 0.89 L3MBTL1 (0.53) MEN1KMT2A
SCHEMBL29288177 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1
SCHEMBL6728610 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1
SCHEMBL1683937 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1
SCHEMBL3503231 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1
SCHEMBL3503023 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1
SCHEMBL8847123 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1
SCHEMBL19709434 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1
SCHEMBL3505591 0.88 DGKA (0.70) DGKADNM1MEN1KMT2APRSS1

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-5342890-A Coating compositions with improved adhesion to plastics BAYER AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed