SCHEMBL3374937

SCHEMBL3374937

CN(C)c1cc(O)c(O)c(CN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HIF1A Q16665 2/20 0.37
TDP1 Q9NUW8 7/20 0.34
MEN1 O00255 4/20 0.34
THRB P10828 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
HKDC1 Q2TB90 3/20 0.34
APEX1 P27695 2/20 0.34
RECQL P46063 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL3376720 0.80 SELL (0.43) ALOX15HSD17B10CYP2C9ALDH1A1HIF1A
SCHEMBL30371189 0.77 ALDH1A1 (0.54) ALOX15HSD17B10CYP2C9ALDH1A1TDP1
SCHEMBL3371904 0.77 HSD17B10 (0.42) ALOX15HSD17B10CYP2C9ALDH1A1HIF1A
SCHEMBL3371928 0.77 ALDH1A1 (0.54) ALOX15HSD17B10CYP2C9ALDH1A1TDP1
SCHEMBL3376374 0.76 POLB (0.50) HSD17B10CYP2C9TDP1POLBKDM4E
SCHEMBL3372548 0.75 HSD17B10 (0.36) ALOX15HSD17B10CYP2C9ALDH1A1HIF1A
SCHEMBL10809043 0.74 ALDH1A1 (0.46) ALOX15HSD17B10CYP2C9ALDH1A1HIF1A
SCHEMBL8543249 0.72 ALDH1A1 (0.43) ALOX15HSD17B10ALDH1A1HIF1ATDP1
SCHEMBL19185511 0.69 IAPP (0.47) ALOX15HSD17B10ALDH1A1HIF1ATDP1
SCHEMBL12564817 0.69 ALDH1A1 (0.49) ALOX15HSD17B10CYP2C9ALDH1A1HIF1A

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