Sugi Predict

Sugi Predict / Compounds / SCHEMBL7366967

SCHEMBL7366967

SCHEMBL7366967

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.46
▸ CTSD P07339 1/20 0.41
▸ PGA5 P0DJD9 1/20 0.40

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
SCHEMBL7323845 0.86 REN (0.58) REN
SCHEMBL10525394 0.76 REN (0.57) REN
SCHEMBL10420805 0.76 CTSS (0.54) REN
SCHEMBL9551311 0.76 REN (0.64) REN
SCHEMBL23598225 0.75 ACE (0.57) REN
SCHEMBL10522069 0.75 ACE (0.57) REN
SCHEMBL7300127 0.75 ACE (0.57) REN
SCHEMBL10722951 0.74 REN (0.53) RENCTSDPGA5
SCHEMBL10522699 0.74 REN (0.41) RENCTSD
SCHEMBL9876266 0.74 CTSS (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497835-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1992-08-12 — — EP claimed
WO-1991006561-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1991-05-16 — — WO claimed
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 — — EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 — — WO disclosed
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