SCHEMBL11194945

SCHEMBL11194945

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)Nc1nncs1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 0.62
▸ CTSL P07711 7/20 0.59
▸ CTSS P25774 5/20 0.59
▸ CTSB P07858 2/20 0.59

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
SCHEMBL11194939 1.00 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL11184923 0.88 TACR1 (0.57) CTSKCTSLCTSSCTSB
SCHEMBL11189117 0.85 MEN1 (0.53) CTSKCTSLCTSSCTSB
SCHEMBL11189108 0.85 MEN1 (0.53) CTSKCTSLCTSSCTSB
SCHEMBL11184144 0.85 GLS (0.52) CTSKCTSLCTSSCTSB
SCHEMBL11184152 0.85 GLS (0.52) CTSKCTSLCTSSCTSB
SCHEMBL11187997 0.82 MEN1 (0.66) CTSKCTSLCTSSCTSB
SCHEMBL11188002 0.82 MEN1 (0.66) CTSKCTSLCTSSCTSB
SCHEMBL28367764 0.81 CTSK (0.75) CTSKCTSLCTSSCTSB
SCHEMBL18791049 0.81 CTSK (0.75) CTSKCTSLCTSSCTSB

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
US-4382142-A ANTITUMOR AND ANTICARCINOGENIC AGENTS; LEUKEMIA KOWA CO., LTD. (JP) 1983-05-03 — — US disclosed
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