SCHEMBL6650157

SCHEMBL6650157

CC(C)(C)OC(=O)NC(CCC#N)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 19/20 0.50
▸ CTSK P43235 17/20 0.50
▸ CTSL P07711 2/20 0.47
▸ CTSB P07858 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
SCHEMBL7855743 0.85 CTSS (0.55) CTSSCTSKCTSLCTSB
SCHEMBL29254677 0.85 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL29254679 0.85 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL6648220 0.83 CTSK (0.46) CTSSCTSKCTSLCTSB
SCHEMBL6684772 0.82 CA1 (0.49) CTSSCTSKCTSLCTSB
SCHEMBL18428079 0.81 CA1 (0.42) CTSSCTSKCTSLCTSB
SCHEMBL4936593 0.81 CTSK (0.51) CTSSCTSK
SCHEMBL30422267 0.81 CA1 (0.42) CTSSCTSKCTSLCTSB
SCHEMBL29265449 0.81 CA1 (0.42) CTSSCTSKCTSLCTSB
SCHEMBL1853923 0.81 CTSK (0.51) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117652-B1 TAN-1057 DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-05-26 — — EP disclosed
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 — — US disclosed
EP-1117652-A1 TAN-1057 DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-07-25 — — EP disclosed
WO-2000012484-A1 TAN-1057 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 — — WO disclosed
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