SCHEMBL13679873

SCHEMBL13679873

CCC(=O)c1ccc(C(=O)OC)cc1N/N=C(/C(C)=O)C(=O)Nc1ccccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 2/20 0.38
CREBBP Q92793 1/20 0.38
POLB P06746 3/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 2/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL764899 0.93 ALDH1A1 (0.49) ALDH1A1MAPTTSHRHSD17B10MAPK1
SCHEMBL15338086 0.85 ALDH1A1 (0.48) ALDH1A1MAPTTSHRHSD17B10MAPK1
SCHEMBL10060119 0.82 POLB (0.49) ALDH1A1MAPTMAPK1KDM4EHPGD
SCHEMBL12998588 0.81 MAPT (0.55) ALDH1A1MAPTTSHRMAPK1KDM4E
SCHEMBL765365 0.81 MAPT (0.55) ALDH1A1MAPTTSHRMAPK1KDM4E
SCHEMBL764924 0.78 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL15943537 0.78 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1KDM4EHPGD
SCHEMBL10060125 0.77 KDM4E (0.43) ALDH1A1MAPTTSHRHSD17B10MAPK1
SCHEMBL10060120 0.77 NPC1 (0.51) ALDH1A1MAPTTSHRMAPK1HPGD
SCHEMBL15943552 0.77 MAPT (0.49) ALDH1A1MAPTMAPK1KDM4EGAA

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
US-7582151-B2 Pigment dispersion with polymeric dispersants having pending chromophore groups AGFA GRAPHICS NV (BE) 2009-09-01 US disclosed
US-7582152-B2 Pigment dispersions with polymeric dispersants having pending chromophore groups AGFA GRAPHICS NV (BE) 2009-09-01 US disclosed
US-7582150-B2 Pigment dispersions with polymeric dispersants having pending chromophore groups AGFA GRAPHICS NV (BE) 2009-09-01 US disclosed
US-20090005474-A1 Pigment Dispersions With Polymeric Dispersants Having Pending Chromophore Groups AGFA GRAPHICS NV (BE) 2009-01-01 US disclosed
US-20080242776-A1 Pigment Dispersion with Polymeric Dispersants Having Pending Chromophore Groups AGFA GRAPHICS NV (BE) 2008-10-02 US disclosed
US-20080227894-A1 Pigment Dispersions with Polymeric Dispersants Having Pending Chromophore Groups AGFA GRAPHICS NV (BE) 2008-09-18 US disclosed
US-20080207806-A1 Pigment Dispersions with Polymeric Dispersants Having Pending Chromophore Groups AGFA GRAPHICS NV (BE) 2008-08-28 US disclosed