SCHEMBL6535201

SCHEMBL6535201

CCC(=O)C(N)(CN)C(=O)CC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FDPS P14324 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7205332 0.77 GLRA1 (0.37)
SCHEMBL11027538 0.74 MGAM (0.35) TDP1ALDH1A1KDM4E
SCHEMBL10456199 0.74 FFAR3 (0.31) TDP1FFAR3ALDH1A1FDPSKDM4E
SCHEMBL16568741 0.74 MEN1 (0.40) TDP1FFAR3ALDH1A1
SCHEMBL28543740 0.73 ALDH1A1 (0.39) TDP1FFAR3ALDH1A1FDPS
SCHEMBL19672307 0.72 TDP1 (0.33) TDP1FFAR3ALDH1A1KDM4E
SCHEMBL16053163 0.72 TSHR (0.33)
SCHEMBL11235353 0.72 TSHR (0.33)
SCHEMBL2466300 0.72 FAAH (0.55) ALDH1A1
SCHEMBL525961 0.72 FAAH (0.55) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110891-A Tellurolactone and method for preparing ditellurium compound by using same 清华大学 2020-12-22 CN disclosed
CN-104945274-B Novel branched fatty nylon salt, and preparation method and application thereof 上海化工研究院 2017-01-11 CN disclosed
EP-0941120-A4 BRANCHED PEPTIDE LINKERS BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 EP disclosed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO disclosed