SCHEMBL8893671

SCHEMBL8893671

CC(C)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.55
CTSK P43235 10/20 0.54
CTSB P07858 3/20 0.54
CTSL P07711 4/20 0.53

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
SCHEMBL8895231 1.00 CTSS (0.55) CTSSCTSKCTSBCTSL
SCHEMBL7388307 0.92 CTSK (0.51) CTSSCTSKCTSBCTSL
SCHEMBL7438999 0.91 CTSS (0.55) CTSSCTSKCTSBCTSL
SCHEMBL8893516 0.89 CASP3 (0.51) CTSSCTSKCTSBCTSL
SCHEMBL7432162 0.84 CTSB (0.52) CTSSCTSKCTSBCTSL
SCHEMBL7428713 0.83 CTSS (0.51) CTSSCTSKCTSBCTSL
SCHEMBL7391841 0.81 CTSK (0.56) CTSSCTSKCTSBCTSL
SCHEMBL7439440 0.81 CTSB (0.48) CTSSCTSKCTSBCTSL
SCHEMBL27514276 0.80 CCR1 (0.65) CTSSCTSKCTSBCTSL
SCHEMBL25285647 0.80 CTSK (0.65) CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed