SCHEMBL7300241

SCHEMBL7300241

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.55
PSEN2 P49810 12/20 0.55
APH1B Q8WW43 12/20 0.55
NCSTN Q92542 12/20 0.55
APH1A Q96BI3 12/20 0.55
PSENEN Q9NZ42 12/20 0.55
APP P05067 1/20 0.55
REN P00797 5/20 0.48
CTSD P07339 1/20 0.45
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL10444524 0.86 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290790 0.83 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7324970 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7300835 0.82 KLK5 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10521852 0.81 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290892 0.80 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7303392 0.79 KLK5 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5838739 0.79 ATM (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7293840 0.77 KLK5 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7294708 0.77 PSEN1 (0.57) 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
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP claimed
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP disclosed