SCHEMBL8895910

SCHEMBL8895910

COc1ccc(CC(CC(O[Si](C)(C)C(C)(C)C)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(Cc2ccccc2)C(=O)NC(=O)N2CCOCC2)C(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.39
PSEN2 P49810 7/20 0.39
APH1B Q8WW43 7/20 0.39
NCSTN Q92542 7/20 0.39
APH1A Q96BI3 7/20 0.39
PSENEN Q9NZ42 7/20 0.39
APP P05067 1/20 0.39
REN P00797 2/20 0.39
CTSD P07339 2/20 0.38
CYP3A4 P08684 1/20 0.38
BACE1 P56817 5/20 0.37
CASP3 P42574 1/20 0.37
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
SCHEMBL8893550 0.94 REN (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892225 0.93 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892890 0.92 REN (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893984 0.92 REN (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7435623 0.91 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7442606 0.91 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893168 0.91 REN (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892921 0.91 CTSS (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894701 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892829 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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