SCHEMBL27817907

SCHEMBL27817907

CCCCCC(=O)NCC(C)(C)CN

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.53
HSP90AA1 P07900 1/20 0.46
SLC6A5 Q9Y345 2/20 0.45
DNM1 Q05193 3/20 0.45
CASP2 P42575 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL27837328 0.87 CTSD (0.45) FAAHCASP2ALDH1A1
SCHEMBL26034080 0.86 FAAH (0.47) FAAHHSP90AA1SLC6A5DNM1CASP2
SCHEMBL9498341 0.86 RECQL (0.40) FAAHDNM1ALDH1A1
SCHEMBL11242257 0.82 FAAH (0.58) FAAHHSP90AA1DNM1CASP2ALDH1A1
SCHEMBL25850206 0.82 FAAH (0.43) FAAHHSP90AA1SLC6A5DNM1CASP2
SCHEMBL12285493 0.81 FAAH (0.61) FAAHHSP90AA1DNM1CASP2ALDH1A1
SCHEMBL24340761 0.80 FAAH (0.51) FAAHHSP90AA1SLC6A5DNM1CASP2
SCHEMBL11222029 0.80 FAAH (0.60) FAAHHSP90AA1SLC6A5DNM1CASP2
SCHEMBL13701833 0.79 FAAH (0.64) FAAHHSP90AA1DNM1CASP2MEN1
Oxalic Acid SCHEMBL9795310 0.79 KDM4E (0.36) FAAHALDH1A1

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
CN-102161627-A Omega-(N-substituted-aminoalkyl)octanamide UNIV CHINA PHARMA 2011-08-24 CN disclosed