SCHEMBL11215809

SCHEMBL11215809

O=C(Oc1ccccc1)c1cccc(Oc2ccc(Oc3cccc(C(=O)Oc4ccccc4)c3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.68
HDAC8 Q9BY41 1/20 0.60
MAPT P10636 5/20 0.59
TDP1 Q9NUW8 3/20 0.59
PARP10 Q53GL7 3/20 0.57
TNKS O95271 1/20 0.57
PARP15 Q460N3 1/20 0.57
PARP14 Q460N5 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NSD2 O96028 1/20 0.54
MAPK1 P28482 1/20 0.54
KMO O15229 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 3/20 0.51

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
SCHEMBL11208890 0.97 AKR1C3 (0.64) AKR1C3HDAC8MAPTTDP1PARP10
SCHEMBL9242893 0.95 MAPT (0.60) AKR1C3HDAC8MAPTTDP1PARP10
SCHEMBL11208893 0.94 AKR1C3 (0.70) AKR1C3HDAC8MAPTTDP1PARP10
SCHEMBL28051885 0.92 AKR1C3 (0.67) AKR1C3HDAC8MAPTTDP1PARP10
SCHEMBL11149811 0.89 PARP10 (0.67) AKR1C3MAPTTDP1PARP10KMT2A
SCHEMBL69684 0.87 NSD2 (0.63) AKR1C3MAPTTDP1PARP10KMT2A
SCHEMBL9809043 0.87 PARP10 (0.69) MAPTTDP1PARP10KMT2AMEN1
SCHEMBL9809037 0.87 PARP10 (0.69) MAPTTDP1PARP10KMT2AMEN1
SCHEMBL6938778 0.85 AKR1C3 (0.72) AKR1C3HDAC8MAPTPARP10TNKS
SCHEMBL70401 0.85 PARP10 (0.67) MAPTTDP1PARP10ERCC5FEN1

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
JP-57117528-A None JP disclosed
JP-S57117528-A WHOLLY AROMATIC POLYETHER ESTER TORAY IND INC 1982-07-22 JP disclosed