SCHEMBL395701

SCHEMBL395701

[O-][S+](C=CC=Cc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TRPA1 O75762 1/20 0.45
ALOX5 P09917 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPT P10636 2/20 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
SCHEMBL6915884 0.87 MAOB (0.44) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL6915888 0.87 MAOB (0.44) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL6912142 0.79 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL6912141 0.79 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL394241 0.77 MAOB (0.61) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL23458007 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1
Benzene SCHEMBL9803304 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL5875512 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL6853572 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1
Benzene SCHEMBL135524 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551885-B1 PROCESS TO MODIFY POLYMERIC MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2016-02-17 EP disclosed
US-8101711-B2 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-24 US disclosed
US-20100048819-A1 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2010-02-25 US disclosed
US-7632916-B2 Thermally induced graft polymerization in an apparatus by shearing, devolatilization; grafting isoprene-t-butyl methacrylate copolymer with polyoxyethylene glycol methyl ether, forming methacrylic acid/anhydride monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-15 US disclosed
EP-1551885-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M Innovative Properties Company (US) 2005-07-13 EP disclosed
WO-2004013189-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-02-12 WO disclosed
US-20040024130-A1 Process to modify polymeric materials and resulting compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-02-05 US disclosed