SCHEMBL8893984

SCHEMBL8893984

COc1ccccc1CC(CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.39
CTSD P07339 2/20 0.39
BACE1 P56817 5/20 0.38
CASP3 P42574 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
APP P05067 1/20 0.37
CTSS P25774 1/20 0.37
KMT2A Q03164 1/20 0.37
KLK5 Q9Y337 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
SCHEMBL8893168 0.93 REN (0.38) RENCTSDBACE1CASP3PSEN1
SCHEMBL8892626 0.92 REN (0.39) RENCTSDBACE1CASP3PSEN1
SCHEMBL8895910 0.92 PSEN1 (0.39) RENCTSDBACE1CASP3PSEN1
SCHEMBL8893550 0.92 REN (0.39) RENCTSDBACE1CASP3PSEN1
SCHEMBL8892225 0.92 REN (0.40) RENCTSDBACE1CASP3PSEN1
SCHEMBL8908391 0.91 REN (0.37) RENCTSDBACE1CASP3PSEN1
SCHEMBL7442606 0.91 PSEN1 (0.40) RENCTSDBACE1CASP3PSEN1
SCHEMBL7435623 0.91 PSEN1 (0.40) RENCTSDBACE1CASP3PSEN1
SCHEMBL8893176 0.91 CTSS (0.41) RENCTSDBACE1CASP3PSEN1
SCHEMBL8892199 0.90 REN (0.37) RENCTSDBACE1CASP3PSEN1

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