SCHEMBL7974351

SCHEMBL7974351

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCOc1ccc(C(=O)O)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 6/20 0.50
RARB P10826 4/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G4A P47712 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7961401 0.96 TP53 (0.49) TP53TSHRPLA2G4BRARBHTT
SCHEMBL7972638 0.89 MAPT (0.55) HTTL3MBTL1MEN1KMT2AGAA
SCHEMBL7971192 0.87 GPR119 (0.57) L3MBTL1GAA
SCHEMBL7972769 0.86 MAPT (0.47) L3MBTL1KMT2AGAATDP1
SCHEMBL7961494 0.85 MAPT (0.56) HTTL3MBTL1MEN1KMT2AGAA
SCHEMBL7977465 0.83 TP53 (0.49) TP53TSHRPLA2G4BRARBHTT
SCHEMBL7971231 0.83 GPR119 (0.53) L3MBTL1GAA
SCHEMBL7971292 0.82 HRH3 (0.41) TP53L3MBTL1MEN1KMT2AGAA
SCHEMBL7961432 0.81 HPGD (0.54) L3MBTL1MEN1KMT2AGAAPOLB
SCHEMBL7971371 0.81 HRH3 (0.44) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed