P-Xylene

P-Xylene

SCHEMBL1146866

CCCC(OC)C(=O)O.Cc1ccc(C)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
PPARA Q07869 7/20 0.47
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL10304982 0.86
SCHEMBL25516 0.86
SCHEMBL10305019 0.86
SCHEMBL4257140 0.82 PPARG (0.65) PPARGPPARAPTGESALOX5SMN1; SMN2
SCHEMBL10347459 0.79 CA2 (0.47) PPARGPPARAPTGESALOX5SLC6A3
Ethyl Acetate SCHEMBL3765599 0.78 ALDH1A1 (0.52) PPARGPPARASLC6A3TDP1CHRM1
SCHEMBL10572149 0.77 CA12 (0.44) PPARGPPARATDP1KMT2AALDH1A1
SCHEMBL2325751 0.77 CA12 (0.44) PPARGPPARATDP1KMT2AALDH1A1
Butyl Alcohol SCHEMBL271874 0.76 CHRM1 (0.45) PPARGPPARASMN1; SMN2SLC6A3TDP1
SCHEMBL10778298 0.75 KMT2A (0.54) SMN1; SMN2TDP1MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7883830-B2 Photosensitive planographic printing plate Kodak Japan Ltd. and NEC Engineering Ltd. (JP) 2011-02-08 US disclosed
US-20080280228-A1 With a photosensitive layer; a photopolymerizable compound, a copolymer undercoat layer from alkoxyvinyl silanes, polyethers, vinyl phosphoric acid, acrylic monomers KODAK GRAPHIC COMMUNICATIONS JAPAN LTD. (JP) 2008-11-13 US disclosed
EP-1865378-A1 PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE Kodak Graphic Communications Japan Ltd. (JP) 2007-12-12 EP disclosed
EP-0208908-A1 Ionically modified PUR spreading pastes and their use BAYER AG (DE) 1987-01-21 EP disclosed