SCHEMBL3377946

SCHEMBL3377946

COc1cc(O)c(O)c(CCN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ABL1 P00519 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
RIN1 Q13671 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 3/20 0.39
PTGES O14684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PRKCE Q02156 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 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
SCHEMBL3376374 0.87 POLB (0.50) POLBKDM4EABL1MAPTRECQL
SCHEMBL3377925 0.78 TDP1 (0.39) KDM4ETDP1HSD17B10EYA2APP
SCHEMBL3373409 0.76 TDP1 (0.35) POLBKDM4EMAPTTDP1NFKB1
SCHEMBL3376819 0.74 CA1 (0.38)
SCHEMBL3376350 0.71 IAPP (0.51) KDM4ETDP1EYA2APPACE
SCHEMBL28605004 0.70 ALOX5 (0.54) KDM4EMAPTTDP1PTGESCYP3A4
SCHEMBL29350108 0.70 TDP1 (0.61) TDP1L3MBTL1
SCHEMBL18359693 0.70 HIF1A (0.47) POLBKDM4EABL1MAPTRECQL
SCHEMBL26134675 0.70 TDP1 (0.61) TDP1L3MBTL1
SCHEMBL8421829 0.70 TSHR (0.50) POLBKDM4ETDP1L3MBTL1EYA2

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
WO-2010079409-A2 USE OF AMINOCARBOXYLATE FUNCTIONALIZED CATECHOLS FOR CLEANING APPLICATIONS ECOLAB INC. (US) 2010-07-15 WO disclosed
US-7645731-B1 Use of aminocarboxylate functionalized catechols for cleaning applications ECOLAB INC. (US) 2010-01-12 US disclosed