SCHEMBL6669961

SCHEMBL6669961

CCOCC(=NO)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL6672136 0.84 HDAC8 (0.49) HDAC8PTGS1PTGS2NPC1RAB9A
SCHEMBL6672244 0.82 GRIN1 (0.46) HDAC8NPC1SMN1; SMN2ALDH1A1CES2
SCHEMBL7440698 0.82 GAA (0.53) HDAC8PTGS1PTGS2NPC1RAB9A
SCHEMBL7440691 0.82 GAA (0.53) HDAC8PTGS1PTGS2NPC1RAB9A
SCHEMBL6667919 0.80 HDAC8 (0.46) HDAC8PTGS1PTGS2NPC1RAB9A
SCHEMBL6667377 0.76 HDAC8 (0.54) HDAC8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30421947 0.76 HDAC8 (0.54) HDAC8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28958988 0.76 HDAC8 (0.54) HDAC8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7831102 0.74 HDAC8 (0.62) HDAC8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7831105 0.74 HDAC8 (0.62) HDAC8NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133467-B1 ION CHANNEL MODULATING AGENTS NEUROSEARCH AS (DK) 2004-09-15 EP claimed
US-20040248099-A1 Use of intermediate -conductance potassium channels and modulators for diagnosing and treating diseases having disturbed keratinocyte activity SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2004-12-09 US disclosed