P-Xylene

P-Xylene

SCHEMBL28048503

COCOC(=O)c1ccccc1.Cc1ccc(C)cc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
F2 P00734 1/20 0.45

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
SCHEMBL514540 0.93 LMNA (0.60) NPC1RAB9ALMNATSHRTDP1
SCHEMBL513612 0.91 TDP1 (0.61) NPC1RAB9ALMNATDP1KMT2A
SCHEMBL14287513 0.86 LMNA (0.53) NPC1RAB9ALMNATSHRTDP1
SCHEMBL11358478 0.86 LMNA (0.53) NPC1RAB9ALMNATSHRTDP1
SCHEMBL29104383 0.83 TDP1 (0.66) RAB9ALMNATSHRTDP1KMT2A
SCHEMBL14898425 0.82 ESR1 (0.52) RAB9ALMNATSHRTDP1KMT2A
SCHEMBL27914437 0.82 KDM4E (0.60) RAB9ALMNATSHRTDP1KMT2A
SCHEMBL14722402 0.81 NPC1 (0.72) NPC1RAB9ALMNATSHRTDP1
SCHEMBL1688854 0.81 TDP1 (0.61) NPC1RAB9ALMNATDP1KMT2A
SCHEMBL51601 0.80 TDP1 (0.68) NPC1RAB9ALMNATSHRTDP1

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-103974928-B Prepare the method for alkoxy aryl ester SAUDI BASIC INDUSTRIES CORP. (SA) 2015-12-23 CN disclosed