M-Xylene

M-Xylene

SCHEMBL6517014

Cc1cccc(C)c1.N=C=O.N=C=O.O=C=NCCCCCCN=C=O

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
CYP3A4 P08684 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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 SCHEMBL1508677 0.88 LMNA (0.39) ACHEMAOAMAOBCYP2C19NPC1
P-Xylene SCHEMBL11139632 0.85 ACHE (0.32) ACHECYP3A4MAOAMAOBCYP2C9
M-Xylene SCHEMBL10636076 0.85 ACHE (0.52) ACHECYP3A4CYP2D6CYP2C9CYP2C19
Toluene SCHEMBL27815423 0.82 LMNA (0.44) ACHEMAOAMAOBCYP2C19NPC1
Toluene SCHEMBL28180326 0.82 LMNA (0.44) ACHEMAOAMAOBCYP2C19NPC1
M-Xylene SCHEMBL163239 0.79 ACHE (0.67) ACHECYP3A4HDAC8HDAC6CYP2D6
M-Xylene SCHEMBL28204206 0.79 ACHE (0.67) ACHECYP3A4HDAC8HDAC6CYP2D6
M-Xylene SCHEMBL31383510 0.79 ACHE (0.67) ACHECYP3A4HDAC8HDAC6CYP2D6
M-Xylene SCHEMBL27020 0.79 ACHE (0.67) ACHECYP3A4HDAC8HDAC6CYP2D6
M-Xylene SCHEMBL4769348 0.77 ACHE (0.63) ACHECYP3A4HDAC8HDAC6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028999-B1 Rigid, high temperature insulating foam prepared from polyisocyanate and polyol mixture and method of preparation SUFI ANIQ (US) 2005-02-02 EP disclosed
EP-1028999-A4 COMPOSITION AND METHOD FOR INSULATING FOAM SUFI ANIQ (US) 2001-01-17 EP disclosed
EP-1028999-A1 COMPOSITION AND METHOD FOR INSULATING FOAM Sufi, Aniq (US) 2000-08-23 EP disclosed
WO-1999023160-A1 COMPOSITION AND METHOD FOR INSULATING FOAM SUFI ANIQ (US) 1999-05-14 WO disclosed
US-5859082-A POLYISOCYANATE, POLYEPOXIDE, POLYESTER POLYOL, MELAMINE RESIN SUFI ANIQ (US) 1999-01-12 US disclosed