P-Xylene

P-Xylene

SCHEMBL4152294

Cc1ccc(C)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 2/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL47574 0.97 ACHE (0.53) ACHELMNATSHRALOX12TDP1
SCHEMBL425893 0.97 ACHE (0.53) ACHELMNATSHRALOX12TDP1
Iodide SCHEMBL2955653 0.95 ACHE (0.50) ACHELMNATSHRALOX12TDP1
Hydrochloric Acid SCHEMBL5709632 0.95 ACHE (0.50) ACHELMNATSHRALOX12TDP1
Bromide SCHEMBL136724 0.95 ACHE (0.50) ACHELMNATSHRALOX12TDP1
Bromide SCHEMBL3139967 0.95 ACHE (0.50) ACHELMNATSHRALOX12TDP1
Iodide SCHEMBL7090857 0.95 ACHE (0.50) ACHELMNATSHRALOX12TDP1
SCHEMBL29968520 0.90 ACHE (0.46) ACHELMNATSHRALOX12TDP1
SCHEMBL3144680 0.88 ACHE (0.43) ACHELMNATSHRALOX12TDP1
SCHEMBL5403764 0.88 ACHE (0.43) ACHELMNATSHRALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193307-B2 Synthesis of photoresist polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090030177-A1 SYNTHESIS OF PHOTORESIST POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-01-29 US disclosed