SCHEMBL5203822

SCHEMBL5203822

COc1cc(OB(O)O)cc(OC)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
MAOB P27338 1/20 0.46
LIPE Q05469 1/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
HTR1A P08908 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
SCHEMBL5233540 0.92 TUBB4A (0.48) GAALIPEMGAMSIMGAM2
SCHEMBL5205439 0.88 TNFRSF1A (0.51) MAOBSMPD1HDAC8HTR1AADRA1D
SCHEMBL27998563 0.84 MAOB (0.59) GAAMEN1KMT2AALDH1A1MAOB
SCHEMBL30711914 0.84 SMPD1 (0.56) KMT2AKDM4EALDH1A1MAPTLIPE
SCHEMBL5623275 0.82 LIPE (0.53) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL3848201 0.79 BCHE (0.46) GAAMEN1KMT2AALDH1A1MAOB
SCHEMBL4770265 0.79 THRA (0.44) MEN1KMT2ATHRBMAOBLIPE
SCHEMBL12772157 0.79 KMT2A (0.60) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL27748125 0.79 LIPE (0.53) LIPESMPD1HDAC1HDAC8HDAC6
SCHEMBL7511997 0.78 HSD17B10 (0.58) GAAMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed