SCHEMBL7104109

SCHEMBL7104109

C=CC(=O)Oc1ccccc1Cc1ccccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.51
THRA P10827 1/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
PTGER1 P34995 2/20 0.47
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
HTT P42858 1/20 0.46
FOLH1 Q04609 1/20 0.45
SGMS2 Q8NHU3 2/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL6026935 0.87 NPC1 (0.51) THRBTHRAPTGER1PTGER4PTGER3
SCHEMBL4342753 0.87 THRA (0.57) THRBTHRADRD2TP53HPGD
SCHEMBL11240569 0.87 THRB (0.63) THRBTHRAKDM4EMAPTHPGD
SCHEMBL10717803 0.80 L3MBTL1 (0.50) PTGER1PTGER4PTGER3PTGER2HTT
SCHEMBL29733421 0.80 THRB (0.63) THRBTHRAHTR1ADRD2PTGER1
SCHEMBL7218338 0.80 THRB (0.56) THRBTHRAKDM4EMAPTHPGD
SCHEMBL21647816 0.77 LRRK2 (0.47) PTGER1FOLH1KDM4EALDH1A1LMNA
SCHEMBL28924976 0.77 KMT2A (0.52) THRBTHRAKDM4EMEN1ALDH1A1
SCHEMBL4602976 0.77 HTR1A (0.50) HTR1APTGER1PTGER4PTGER3PTGER2
SCHEMBL27461371 0.76 THRB (0.58) THRBTHRAKDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1344780-A1 GLUCOPYRANOSYLOXYBENZYL BENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-09-17 EP disclosed