SCHEMBL8040111

SCHEMBL8040111

N=C1c2ccccc2-c2ccc(OCCCCOC(=O)NNC=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.38
PPARG P37231 2/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC1 Q13547 1/20 0.35
PDK2 Q15119 6/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL8041866 0.84 HTR3E (0.52) PTPN11PPARGNPC1ALDH1A1RAB9A
SCHEMBL8041854 0.71 PDK2 (0.42) PTPN11PDK2
SCHEMBL7989609 0.66 MEN1 (0.56) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL13165957 0.63 MAPT (0.54) PTPN11NPC1ALDH1A1RAB9AMEN1
SCHEMBL25037329 0.63 KMT2A (0.64) KMT2A
SCHEMBL10364797 0.59 TGM2 (0.45) NPC1ALDH1A1RAB9AMEN1GAA
SCHEMBL11796342 0.59 PNLIP (0.55) PTPN11NPC1ALDH1A1RAB9AMEN1
SCHEMBL1979046 0.59 PTPN11 (0.55) PTPN11NPC1ALDH1A1RAB9AMEN1
SCHEMBL12455653 0.59 MAPT (0.51) PTPN11PPARGNPC1ALDH1A1RAB9A
SCHEMBL14288507 0.58 MAPT (0.72) PTPN11NPC1ALDH1A1RAB9AMEN1

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
WO-2009085978-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARCEUTICALS, INC. (US) 2009-07-09 WO disclosed