SCHEMBL13625388

SCHEMBL13625388

O=C(CO)Nc1ccc(CCC(=O)N2CCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 6/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 2/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
HTT P42858 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
SCHEMBL14297018 0.88 POLB (0.67) POLBMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL23615473 0.87 HDAC3 (0.58) POLBMAPTNPC1SMN1; SMN2HDAC3
SCHEMBL14297019 0.85 POLB (0.49) POLBMAPTNPC1SMN1; SMN2HTR2A
SCHEMBL20054903 0.85 POLB (0.46) POLBMAPTNPC1SMN1; SMN2HDAC3
SCHEMBL14297023 0.83 ALDH1A1 (0.57) POLBMAPTNPC1SMN1; SMN2HDAC3
SCHEMBL13880959 0.83 POLB (0.46) POLBMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL4400681 0.83 POLB (0.46) POLBMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL20196333 0.82 POLB (0.45) POLBMAPTNPC1SMN1; SMN2GAA
SCHEMBL13643864 0.82 POLB (0.47) POLBMAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL13625469 0.82 POLB (0.45) POLBMAPTNPC1SMN1; SMN2HSD17B10

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-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed