P-Xylene

P-Xylene

SCHEMBL7186308

CCCCc1ccc2c(c1C(=O)O)Cc1ccccc1O2.CCCCc1ccc2c(c1C(=O)O)Cc1ccccc1O2.Cc1ccc(C)cc1

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.40
MCL1 Q07820 6/20 0.40
BCL2L1 Q07817 5/20 0.40
BAK1 Q16611 5/20 0.40
PPARA Q07869 3/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 2/20 0.40
SAE1 Q9UBE0 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
AGTR1 P30556 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MMP2 P08253 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL135629 0.95 BID (0.43) BIDMCL1BCL2L1BAK1PPARA
O-Xylene SCHEMBL6676431 0.93 BID (0.40) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL2811299 0.91 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL2197127 0.91 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL2501503 0.91 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL9055787 0.91 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL11609491 0.89 BID (0.49) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL2804823 0.88 MAOA (0.42) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL153269 0.85 MAOA (0.37) BIDMCL1BCL2L1BAK1PPARA
Zinc Ion SCHEMBL180553 0.85 MAOA (0.37) BIDMCL1BCL2L1BAK1PPARA

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-6583175-B2 Used as insect growth regulatory for pest management in agricultural fields no or less environmental impact COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-06-24 US disclosed