SCHEMBL27601082

SCHEMBL27601082

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccccc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.61
BCHE P06276 4/20 0.61
CHRM2 P08172 4/20 0.57
NAAA Q02083 1/20 0.55
HDAC1 Q13547 1/20 0.55
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.54
HDAC3 O15379 3/20 0.53
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52

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
SCHEMBL6718542 0.84 NAAA (0.73) ACHEBCHENAAAHDAC1HDAC3
SCHEMBL27619607 0.84 NAAA (0.58) NAAAHDAC1HDAC3
SCHEMBL27619622 0.83 NPC1 (0.72) CHRM2NAAAHDAC1HPGDHDAC3
SCHEMBL5048321 0.83 NAAA (0.53) ACHEBCHENAAAHDAC1
SCHEMBL1853858 0.81 NAAA (0.52) ACHEBCHENAAAHDAC1HTT
SCHEMBL5044057 0.81 EPHX2 (0.55) NAAAHDAC1HDAC3
SCHEMBL27601039 0.81 NAAA (0.63) NAAAHDAC1HTTHPGDHDAC3
SCHEMBL1858193 0.81 HDAC3 (0.54) NAAAHDAC1HDAC3
SCHEMBL5044018 0.80 NAAA (0.53) ACHEBCHENAAAHDAC1HDAC3
SCHEMBL5044262 0.80 L3MBTL1 (0.62) NAAAHDAC1HDAC3

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