SCHEMBL23269880

SCHEMBL23269880

CN[C@H](CC(C)C)C(=O)OC(C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.53
▸ CTSS P25774 4/20 0.50
▸ CTSL P07711 3/20 0.50
▸ CTSB P07858 3/20 0.50
▸ S1PR4 O95977 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ CAPN1 P07384 1/20 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
SCHEMBL18256327 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL18248005 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL19088457 1.00 CTSK (0.53) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL27726507 0.90 CTSK (0.59) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL7374655 0.90 CTSK (0.59) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL29398302 0.90 CTSK (0.59) CTSKCTSSCTSLCTSBS1PR4
Hydrochloric Acid SCHEMBL27747285 0.89 CTSK (0.58) CTSKCTSSCTSLCTSBS1PR4
Hydrochloric Acid SCHEMBL27747283 0.89 CTSK (0.58) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL21266672 0.88 CTSK (0.43) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL18248047 0.87 CTSS (0.50) CTSKCTSSCTSLCTSBS1PR4

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
EP-3298027-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-04-28 — — EP disclosed
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