SCHEMBL28190849

SCHEMBL28190849

CCCCOC(=O)NC(CCCC=O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 5/20 0.54
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIRT2 Q8IXJ6 8/20 0.50
SIRT1 Q96EB6 5/20 0.50
SIRT3 Q9NTG7 4/20 0.50
TLR2 O60603 2/20 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
SCHEMBL3941405 0.87 CTSL (0.57) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL7365937 0.87 CTSK (0.54) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL1119084 0.86 CTSL (0.56) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL5206542 0.86 CTSK (0.58) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL10920444 0.85 TLR2 (0.59) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL751179 0.85 CTSL (0.55) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL15569270 0.85 CTSS (0.57) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL5550159 0.83 CTSS (0.55) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL7761583 0.83 CTSS (0.55) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL15569565 0.83 CTSS (0.55) CTSLCTSSCTSKALDH1A1CYP3A4

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-104981456-B The manufacture method of desmosine, isodensmosine and their derivative 学校法人上智学院 2017-12-19 CN disclosed