SCHEMBL27601017

SCHEMBL27601017

CCCCCCCCCCCCNC(=O)c1ccc(CNC(CC)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.61
HDAC3 O15379 7/20 0.58
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
CHRM2 P08172 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TAOK1 Q7L7X3 1/20 0.49
TAOK3 Q9H2K8 1/20 0.49
MLYCD O95822 1/20 0.49
TLR2 O60603 1/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
CA2 P00918 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL1855424 0.92 NAAA (0.60) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL5039785 0.87 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL5048823 0.87 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL27601086 0.87 NAAA (0.63) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL6718542 0.81 NAAA (0.73) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL28754789 0.81 L3MBTL1 (0.62) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL29300146 0.80 L3MBTL1 (0.60) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL1003239 0.78 NAAA (1.00) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL20216434 0.78 NAAA (1.00) NAAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL8204741 0.78 NAAA (1.00) NAAAHDAC3HDAC1HDAC2L3MBTL1

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
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed