SCHEMBL7435623

SCHEMBL7435623

CC(C)C(NC(=O)C(Cc1ccc(F)cc1)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 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
APP P05067 1/20 0.40
REN P00797 2/20 0.39
BACE1 P56817 9/20 0.39
CTSD P07339 1/20 0.39
CASP3 P42574 1/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
KMT2A Q03164 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
SCHEMBL7442606 1.00 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892084 0.96 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892080 0.96 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8908391 0.95 REN (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892921 0.94 CTSS (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892505 0.94 CTSD (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894701 0.94 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892829 0.94 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892225 0.93 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892199 0.93 REN (0.37) 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-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed