SCHEMBL7294708

SCHEMBL7294708

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)[C@H](Cc1ccc(O)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.57
PSEN2 P49810 6/20 0.57
APH1B Q8WW43 6/20 0.57
NCSTN Q92542 6/20 0.57
APH1A Q96BI3 6/20 0.57
PSENEN Q9NZ42 6/20 0.57
APP P05067 1/20 0.57
REN P00797 12/20 0.57
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL7290892 0.96 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290790 0.92 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10444305 0.89 ERAP2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7292589 0.86 CAPN1 (0.58) RENCTSSCTSK
SCHEMBL10444298 0.85 ACE (0.51)
SCHEMBL7292800 0.85 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10444617 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7298803 0.84 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10339094 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10444334 0.83 REN (0.54) 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-0356223-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1990-02-28 EP disclosed
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP disclosed