SCHEMBL4756402

SCHEMBL4756402

CCCCOC(=O)NCCNCCNC(=O)OCCCC

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.69
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL14138634 0.96 ACHE (0.65) ACHEEPHX1EPHX2
SCHEMBL20580780 0.90 ACHE (0.79) ACHEEPHX1EPHX2
SCHEMBL21275057 0.88 ACHE (0.56) ACHEEPHX1EPHX2
SCHEMBL7569673 0.88 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL10939707 0.88 ACHE (0.81) ACHEEPHX1EPHX2
SCHEMBL3975468 0.88 ACHE (0.88) ACHEEPHX1EPHX2
SCHEMBL8381680 0.88 ACHE (0.74) ACHEEPHX1ALDH1A1
SCHEMBL6539639 0.87 ACHE (0.62) ACHEEPHX2
SCHEMBL28035428 0.86 ACHE (0.67) ACHEEPHX1ALDH1A1EPHX2
SCHEMBL6289600 0.86 ACHE (0.79) ACHEEPHX1EPHX2

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-2008021788-A2 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (CN) 2008-02-21 WO disclosed