SCHEMBL569408

SCHEMBL569408

CCOc1ccc(NC(=O)c2cc(Cc3ccco3)[nH]n2)cc1C(=O)NCCCN

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LCLAT1 Q6UWP7 7/20 0.40
POLB P06746 3/20 0.40
HCRTR1 O43613 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL569245 0.92 KMT2A (0.41) MAPTHPGDTSHRHSD17B10POLB
SCHEMBL570416 0.87 ALDH1A1 (0.37) MAPTHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL569330 0.83 MAPK8 (0.42) MAPTHPGDTSHRHSD17B10POLB
SCHEMBL570488 0.81 NPC1 (0.50) MAPTHPGDPOLBL3MBTL1ALDH1A1
SCHEMBL569407 0.78 LCLAT1 (0.45) MAPTLCLAT1HCRTR1TP53LMNA
SCHEMBL569756 0.77 DRD3 (0.54) MAPTHPGDHSD17B10LCLAT1POLB
SCHEMBL10183288 0.77 LCLAT1 (0.45) MAPTLCLAT1HCRTR1TP53KDM4E
SCHEMBL569786 0.76 HCAR2 (0.48) MAPTHPGDHSD17B10POLBALDH1A1
SCHEMBL569400 0.75 HTT (0.38) MAPTHPGDALDH1A1KDM4EMEN1
SCHEMBL569396 0.75 ALDH1A1 (0.38) MAPTHPGDHSD17B10POLBTP53

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
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed