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SCHEMBL8290883

SCHEMBL8290883

NC(=O)OC(CC1CCCCC1)C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 17/20 0.48
▸ CTSL P07711 5/20 0.46
▸ CTSK P43235 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ REN P00797 1/20 0.40

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
SCHEMBL12196312 0.78 CTSK (0.58) CTSSCTSLCTSK
SCHEMBL2163908 0.78 CTSK (0.58) CTSSCTSLCTSK
SCHEMBL14110478 0.78 CTSS (0.47) CTSSCTSLCTSKALDH1A1MMP1
SCHEMBL28837370 0.78 L3MBTL1 (0.44) ALDH1A1MMP1MMP3MMP8
SCHEMBL2162788 0.77 ALDH1A1 (0.49) CTSSCTSLCTSKALDH1A1MMP1
SCHEMBL2162783 0.77 ALDH1A1 (0.49) CTSSCTSLCTSKALDH1A1MMP1
SCHEMBL12196239 0.77 CTSS (0.47) CTSSCTSLCTSKALDH1A1MMP1
SCHEMBL4449644 0.77 CTSS (0.44) CTSSCTSLCTSKALDH1A1REN
SCHEMBL4454183 0.77 CTSS (0.44) CTSSCTSLCTSKALDH1A1REN
SCHEMBL12196292 0.76 CTSS (0.49) CTSSCTSLCTSKALDH1A1MMP1

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-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 — — WO disclosed