SCHEMBL7148071

SCHEMBL7148071

O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CNC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.47
BACE1 P56817 1/20 0.43
EPHX2 P34913 1/20 0.43
NEU1 Q99519 2/20 0.41
NEU3 Q9UQ49 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7689672 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAABACE1
SCHEMBL1225548 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAABACE1
Demannose SCHEMBL6279048 0.79 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2GAANEU1
Hippuric Acid SCHEMBL3710131 0.77 KDM4E (0.44) NPC1RAB9ASMN1; SMN2GAAEPHX2
Gluconic Acid SCHEMBL28056864 0.77 PDE4A (0.44) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL16271189 0.76 ALDH1A1 (0.68) NPC1RAB9AGAALMNAALDH1A1
SCHEMBL2881490 0.76 ALDH1A1 (0.68) NPC1RAB9AGAALMNAALDH1A1
SCHEMBL27480914 0.76 ALDH1A1 (0.68) NPC1RAB9AGAALMNAALDH1A1
Benzoyl Peroxide SCHEMBL27392104 0.76 LMNA (0.52) LMNAALDH1A1KMT2AHSD17B10
SCHEMBL19334001 0.76 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2GAABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
US-6468688-B2 CHARGING, DISCHARGING EFFICIENCY; VANADIUM ELECTROLYTE PINNACLE VRB LIMITED (AU) 2002-10-22 US disclosed
US-20010028977-A1 Charging, discharging efficiency; vanadium electrolyte JD HOLDING INC. (KY) 2001-10-11 US disclosed
EP-0829104-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1998-03-18 EP disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
WO-1996035239-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-11-07 WO disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed