SCHEMBL8894938

SCHEMBL8894938

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](Cc1ccccc1C#N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.54
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL8894934 1.00 REN (0.54) RENCTSDCTSECTSSCTSK
SCHEMBL8891487 0.85 PSEN1 (0.51) RENCTSSCTSK
SCHEMBL8891483 0.85 PSEN1 (0.51) RENCTSSCTSK
SCHEMBL7433655 0.84 REN (0.55) RENCTSSCTSK
SCHEMBL7433661 0.84 REN (0.55) RENCTSSCTSK
SCHEMBL7431241 0.80 REN (0.57) REN
SCHEMBL7431245 0.80 REN (0.57) REN
SCHEMBL8460695 0.80 REN (0.50) RENCTSDCTSE
SCHEMBL8458000 0.80 REN (0.50) RENCTSDCTSE
SCHEMBL8458792 0.79 REN (0.57) REN

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
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed