SCHEMBL8408312

SCHEMBL8408312

CC(C)C[C@@H](N)C(=O)NNC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.61
CTSS P25774 3/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
LARS1 Q9P2J5 1/20 0.53
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL27450496 0.89 CTSK (0.57) CTSKCTSSCTSLCTSBLARS1
SCHEMBL6984142 0.89 CTSK (0.57) CTSKCTSSCTSLCTSBLARS1
SCHEMBL11072087 0.85 CTSK (0.60) CTSKCTSSCTSLCTSBSLC1A3
SCHEMBL6703437 0.83 CTSK (0.54) CTSKCTSSCTSLCTSBSLC1A3
SCHEMBL10414351 0.83 SLC1A3 (0.57) CTSKSLC1A3SLC1A1
SCHEMBL11061792 0.82 TGM2 (0.56) CTSKSLC1A3SLC1A1
SCHEMBL11060790 0.82 TGM2 (0.56) CTSKSLC1A3SLC1A1
SCHEMBL14493054 0.82 CTSK (0.53) CTSKCTSSCTSLCTSBLARS1
SCHEMBL7113329 0.82 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL353695 0.82 ALDH1A1 (0.53) CTSKCTSSCTSLCTSBSLC1A1

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-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed