SCHEMBL7301837

SCHEMBL7301837

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.47
PSEN2 P49810 7/20 0.47
APH1B Q8WW43 7/20 0.47
NCSTN Q92542 7/20 0.47
APH1A Q96BI3 7/20 0.47
PSENEN Q9NZ42 7/20 0.47
APP P05067 1/20 0.47
REN P00797 11/20 0.41
KLK5 Q9Y337 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
SCHEMBL7302143 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7295128 0.83 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301669 0.81 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290790 0.76 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7292851 0.76 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7301983 0.75 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7300241 0.75 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7299942 0.74 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290892 0.73 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5838739 0.73 ATM (0.55) 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 1 patent. 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 disclosed