SCHEMBL3411003

SCHEMBL3411003

CC(=O)OSSOC(=O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 1/20 0.51
KEAP1 Q14145 1/20 0.48
FFAR1 O14842 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
PTGS2 P35354 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RECQL P46063 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL10519638 0.87 TDP1 (0.56) TDP1ALDH1A1KMT2AKEAP1FFAR1
SCHEMBL466545 0.79 TDP1 (0.63) TDP1ALDH1A1KMT2AKEAP1FFAR1
SCHEMBL28968155 0.78 TDP1 (0.68) TDP1ALDH1A1KMT2AKEAP1FFAR1
SCHEMBL6279310 0.77 TDP1 (0.61) TDP1ALDH1A1KMT2AKEAP1FFAR1
SCHEMBL29067576 0.77 TDP1 (0.56) TDP1ALDH1A1KMT2AKEAP1FFAR1
Acetone SCHEMBL16013121 0.75 TDP1 (0.63) TDP1ALDH1A1KMT2AKEAP1FFAR1
Methyl 3-Phenylpropanoate SCHEMBL17748824 0.75 TDP1 (0.63) TDP1ALDH1A1KMT2AKEAP1FFAR1
SCHEMBL7212141 0.75 PTGS2 (0.53) TDP1ALDH1A1KMT2AKEAP1FFAR1
Methyl 3-Phenylpropanoate SCHEMBL168711 0.74 TDP1 (0.68) TDP1ALDH1A1KMT2AKEAP1FFAR1
SCHEMBL1739439 0.74 TDP1 (0.73) TDP1ALDH1A1KMT2AKEAP1FFAR1

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-8268925-B2 Graft copolymer and compositions thereof LUBRIZOL LIMITED (GB) 2012-09-18 US disclosed
US-20100152339-A1 Graft Copolymer And Compositions Thereof LUBRIZOL LIMITED (GB) 2010-06-17 US disclosed
EP-2150333-A1 GRAFT COPOLYMER AND COMPOSITIONS THEREOF Lubrizol Limited (GB) 2010-02-10 EP disclosed
WO-2008145613-A1 GRAFT COPOLYMER AND COMPOSITIONS THEREOF LUBRIZOL LIMITED (GB) 2008-12-04 WO disclosed