SCHEMBL6667919

SCHEMBL6667919

CC(C)OCC(=NO)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PTPN1 P18031 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
UGT2B7 P16662 1/20 0.38
GAA P10253 1/20 0.38

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 0.83 HDAC8 (0.49) HDAC8CDK5CDK5R1CES2CES1
SCHEMBL6669961 0.80 HDAC8 (0.47) HDAC8CES2CES1SMN1; SMN2KDM4E
SCHEMBL7440698 0.77 GAA (0.53) HDAC8CES2CES1SMN1; SMN2KDM4E
SCHEMBL7440691 0.77 GAA (0.53) HDAC8CES2CES1SMN1; SMN2KDM4E
SCHEMBL6667377 0.75 HDAC8 (0.54) HDAC8CES2CES1SMN1; SMN2KDM4E
SCHEMBL6672244 0.75 GRIN1 (0.46) HDAC8CES2CES1SMN1; SMN2KDM4E
SCHEMBL28958988 0.69 HDAC8 (0.54) HDAC8CES2CES1SMN1; SMN2KDM4E
SCHEMBL30421947 0.69 HDAC8 (0.54) HDAC8CES2CES1SMN1; SMN2KDM4E
SCHEMBL14118638 0.69 HRH3 (0.56) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL28341243 0.68 HDAC8 (0.47) HDAC8CES2CES1SMN1; SMN2KDM4E

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