SCHEMBL5206542

SCHEMBL5206542

CCCCOC(=O)NC(CCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.58
CTSL P07711 9/20 0.56
CTSS P25774 2/20 0.56
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51
SIRT3 Q9NTG7 1/20 0.51
CASP1 P29466 1/20 0.50
CTSB P07858 2/20 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
SCHEMBL1119084 0.90 CTSL (0.56) CTSKCTSLCTSSALDH1A1CYP3A4
SCHEMBL16465117 0.90 CTSK (0.60) CTSKCTSLCTSSTSHRSIRT2
SCHEMBL5205857 0.89 CTSL (0.48) CTSKCTSLCTSSALDH1A1CYP3A4
SCHEMBL751179 0.89 CTSL (0.55) CTSKCTSLCTSSALDH1A1CYP3A4
SCHEMBL3941405 0.89 CTSL (0.57) CTSKCTSLCTSSALDH1A1CYP3A4
SCHEMBL3659010 0.89 CTSK (0.61) CTSKCTSLCTSSSIRT2SIRT1
SCHEMBL8142303 0.89 CTSK (0.61) CTSKCTSLCTSSSIRT2SIRT1
SCHEMBL3630687 0.89 CTSK (0.61) CTSKCTSLCTSSSIRT2SIRT1
SCHEMBL15569565 0.88 CTSS (0.55) CTSKCTSLCTSSALDH1A1CYP3A4
SCHEMBL5550159 0.88 CTSS (0.55) CTSKCTSLCTSSALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551801-A4 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-06-20 EP disclosed
EP-1551801-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-07-13 EP disclosed
WO-2004013098-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO disclosed