SCHEMBL8893176

SCHEMBL8893176

CC(C)C(NC(=O)C(Cc1ccccc1C#N)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.41
REN P00797 2/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
BACE1 P56817 6/20 0.37
CASP3 P42574 1/20 0.37
CTSD P07339 1/20 0.37
APP P05067 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8909816 0.95 CTSD (0.39) CTSSRENCTSLCTSBCTSK
SCHEMBL7431468 0.92 CTSS (0.40) CTSSRENCTSLCTSBCTSK
SCHEMBL8892626 0.91 REN (0.39) CTSSRENCTSKBACE1CASP3
SCHEMBL8893984 0.91 REN (0.39) CTSSRENBACE1CASP3CTSD
SCHEMBL8893998 0.90 CTSS (0.39) CTSSRENCTSLCTSBCTSK
SCHEMBL8908391 0.89 REN (0.37) CTSSRENCTSKBACE1CASP3
SCHEMBL7442606 0.89 PSEN1 (0.40) CTSSRENCTSKBACE1CASP3
SCHEMBL7435623 0.89 PSEN1 (0.40) CTSSRENCTSKBACE1CASP3
SCHEMBL8892225 0.88 REN (0.40) RENBACE1CASP3CTSDAPP
SCHEMBL8892199 0.88 REN (0.37) RENCTSLBACE1CASP3CTSD

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