SCHEMBL10433962

SCHEMBL10433962

CC[C@H](C)[C@H](NC(=O)CCC(O)C(CC(C)C)NN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(=O)NC(Cc1ccccc1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.53
▸ CTSD P07339 8/20 0.53

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
SCHEMBL10433839 0.85 CTSD (0.42) RENCTSD
SCHEMBL10433908 0.77 REN (0.41) REN
SCHEMBL10664132 0.75 REN (0.62) REN
SCHEMBL10664115 0.75 REN (0.62) REN
SCHEMBL10662212 0.75 REN (0.60) RENCTSD
SCHEMBL10659887 0.75 REN (0.60) RENCTSD
SCHEMBL29612424 0.75 REN (0.59) RENCTSD
SCHEMBL9716892 0.74 REN (0.65) REN
SCHEMBL10632103 0.73 CTSD (0.48) RENCTSD
SCHEMBL10630585 0.73 REN (0.63) RENCTSD

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-0369141-A1 Aspartic protease inhibitors for the treatment of diseases caused by retroviruses MERCK PATENT GmbH (DE) 1990-05-23 — — EP disclosed
Send feedback