SCHEMBL8895068

SCHEMBL8895068

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc1cccc(C#N)c1)C(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
CTSS P25774 8/20 0.43
CTSK P43235 7/20 0.43
CTSB P07858 4/20 0.43
CTSL P07711 2/20 0.43
KLK5 Q9Y337 2/20 0.41
ABCB1 P08183 2/20 0.41
ACE P12821 1/20 0.40
APP P05067 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PTPN1 P18031 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL8895064 1.00 FOLH1 (0.46) FOLH1CTSSCTSKCTSBCTSL
SCHEMBL7434880 0.92 CTSS (0.45) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7434874 0.92 CTSS (0.45) CTSSCTSKCTSBCTSLKLK5
SCHEMBL5142842 0.89 KLK5 (0.47) FOLH1CTSSCTSKCTSBCTSL
SCHEMBL6305846 0.89 KLK5 (0.47) FOLH1CTSSCTSKCTSBCTSL
SCHEMBL7283432 0.89 KLK5 (0.47) FOLH1CTSSCTSKCTSBCTSL
SCHEMBL6446803 0.89 KLK5 (0.47) FOLH1CTSSCTSKCTSBCTSL
SCHEMBL7796450 0.89 KLK5 (0.47) FOLH1CTSSCTSKCTSBCTSL
SCHEMBL7398818 0.89 KLK5 (0.47) FOLH1CTSSCTSKCTSBCTSL
SCHEMBL9546505 0.88 NPSR1 (0.47) CTSSCTSKCTSBCTSLKLK5

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