SCHEMBL8892626

SCHEMBL8892626

CC(C)C(NC(=O)C(Cc1ccccc1F)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 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
BACE1 P56817 9/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
CTSD P07339 1/20 0.38
CASP3 P42574 1/20 0.38
APP P05067 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KMT2A Q03164 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL8908391 0.98 REN (0.37) RENBACE1CTSSCTSKCTSD
SCHEMBL8892199 0.94 REN (0.37) RENBACE1CTSDCASP3APP
SCHEMBL7442606 0.93 PSEN1 (0.40) RENBACE1CTSSCTSKCTSD
SCHEMBL7435623 0.93 PSEN1 (0.40) RENBACE1CTSSCTSKCTSD
SCHEMBL8893984 0.92 REN (0.39) RENBACE1CTSSCTSDCASP3
SCHEMBL8893176 0.91 CTSS (0.41) RENBACE1CTSSCTSKCTSD
SCHEMBL8892921 0.91 CTSS (0.41) RENBACE1CTSSCTSKCTSD
SCHEMBL8892829 0.90 PSEN1 (0.39) RENBACE1CTSSCTSDCASP3
SCHEMBL8894701 0.90 PSEN1 (0.39) RENBACE1CTSSCTSDCASP3
SCHEMBL8892225 0.90 REN (0.40) RENBACE1CTSDCASP3APP

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