SCHEMBL7565726

SCHEMBL7565726

OC1(Br)OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.43
ACHE P22303 1/20 0.43
PDPK1 O15530 2/20 0.39
MTOR P42345 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
CTSF Q9UBX1 1/20 0.38
SLC6A2 P23975 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
PDE4D Q08499 1/20 0.35
TACR1 P25103 2/20 0.33

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
SCHEMBL8067902 0.78 BCHE (0.41) BCHEACHEPDPK1MTORCTSV
SCHEMBL8074042 0.77 BCHE (0.40) BCHEACHEPDPK1MTORCTSV
SCHEMBL8067905 0.75 BCHE (0.46) BCHEACHEPDPK1MTORCTSV
SCHEMBL23867782 0.74 BCHE (0.49) BCHEACHEPDPK1MTORCTSV
SCHEMBL10604467 0.73 PDPK1 (0.40) BCHEACHEPDPK1MTORTACR1
SCHEMBL8068898 0.73 BCHE (0.39) BCHEACHEPDPK1MTORCTSV
SCHEMBL20960030 0.72 BCHE (0.42) BCHEACHECTSVCTSLCTSB
SCHEMBL22031145 0.71 SLC6A2 (0.48) BCHEACHEPDPK1MTORCTSV
SCHEMBL22030353 0.71 SLC6A2 (0.48) BCHEACHEPDPK1MTORCTSV
SCHEMBL7565013 0.71 SLC6A2 (0.48) BCHEACHEPDPK1MTORCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830365-B1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RES COUNCIL (CA) 2002-09-04 EP disclosed
US-5877157-A Modified kojibioside analogues ALBERTA RESEARCH COUNCIL (CA) 1999-03-02 US disclosed
EP-0837867-A1 MODIFIED $g(a)-D-Glcp-(1-2)-$g(a)-D-Glcp-(1-3)-$g(a)-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1998-04-29 EP disclosed
EP-0830365-A1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1998-03-25 EP disclosed
US-5633233-A Modified kojibiosides analogues ALBERTA RESEARCH COUNCIL (CA) 1997-05-27 US disclosed
WO-1996040700-A1 MODIFIED α-D-Glcp-(1-2)-α-D-Glcp-(1-3)-α-D-Glcp-ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 WO disclosed
WO-1996040702-A1 MODIFIED KOJIBIOSIDES ANALOGUES ALBERTA RESEARCH COUNCIL (CA) 1996-12-19 WO disclosed