SCHEMBL7302249

SCHEMBL7302249

[O]c1c(O)cc(O)c2cccc(O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALOX15 P16050 2/20 0.54
RECQL P46063 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
THRB P10828 2/20 0.54
APP P05067 1/20 0.54
TSHR P16473 1/20 0.54
CASP1 P29466 1/20 0.54
SNCA P37840 1/20 0.54
ALDH1A1 P00352 3/20 0.40
MAOA P21397 2/20 0.40
MEN1 O00255 1/20 0.40
DNMT1 P26358 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL4635862 0.77 HPGD (0.58) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL31037128 0.77 HPGD (0.58) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL7299430 0.71 HPGD (0.70) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL18068458 0.71 HPGD (0.56) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL29182281 0.71 MEN1 (0.58) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL13300910 0.71 MAPT (0.56) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL2407577 0.71 HPGD (1.00) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL29640486 0.71 HPGD (1.00) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL16107776 0.70 TRPM4 (0.61) MAPTHPGDHSD17B10ALOX15RECQL
SCHEMBL3220975 0.68 HPGD (0.58) MAPTHPGDHSD17B10ALOX15RECQL

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed