SCHEMBL5884595

SCHEMBL5884595

CCON=Cc1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.32
CTSS P25774 2/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
CASP1 P29466 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CASP7 P55210 2/20 0.32
RET P07949 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
OPRK1 P41145 1/20 0.32
SRC P12931 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5884485 0.91 HPGD (0.38) GAAALDH1A1SMN1; SMN2CTSSKDM4E
SCHEMBL5884333 0.85 KCNH2 (0.39) GAAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL5884689 0.85 KCNH2 (0.39) GAAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL5884902 0.85 HPGD (0.38) CTSSHPGDSLC2A1
SCHEMBL5884592 0.84 NPC1 (0.35) SMN1; SMN2OPRK1SLC2A1
SCHEMBL5884228 0.83 HPGD (0.37) CTSSHPGDSLC2A1
SCHEMBL5884125 0.83 HPGD (0.37) ALDH1A1SMN1; SMN2KMT2ACTSSHPGD
SCHEMBL5884657 0.83 OPRK1 (0.36) ALDH1A1CTSSKDM4EMAPTHPGD
SCHEMBL5884645 0.82 OPRK1 (0.36) CTSSRETOPRK1SLC2A1
SCHEMBL5884301 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed