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SCHEMBL8536393

SCHEMBL8536393

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 11/20 0.52
▸ MMP2 P08253 1/20 0.47
▸ REN P00797 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ BACE1 P56817 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
SCHEMBL8536153 0.94 CTSD (0.55) CTSDMMP2RENCA2
SCHEMBL8534869 0.84 CTSD (0.58) CTSDREN
SCHEMBL7345648 0.83 CA2 (0.54) CTSDCA2
SCHEMBL7268478 0.82 CTSD (0.54) CTSD
Hydrochloric Acid SCHEMBL8535408 0.80 MMP2 (0.53) CTSDMMP2CA2BACE1
SCHEMBL7275501 0.80 MMP2 (0.50) MMP2
SCHEMBL623353 0.79 CTSD (0.52) CTSD
SCHEMBL623404 0.79 CTSD (0.52) CTSD
SCHEMBL7333197 0.79 CA2 (0.54) CTSDCA2BACE1
SCHEMBL7279589 0.78 CA2 (0.56) CTSDRENCA2BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 — — EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 — — US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 — — US disclosed