SCHEMBL7370152

SCHEMBL7370152

CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(C)C)C(=O)NCC(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.56
▸ CTSD P07339 1/20 0.44
▸ CTSE P14091 1/20 0.44

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
SCHEMBL9676798 0.78 REN (0.63) RENCTSD
SCHEMBL9676805 0.78 REN (0.63) RENCTSD
SCHEMBL9755323 0.78 REN (0.57) RENCTSDCTSE
SCHEMBL7364990 0.78 REN (0.51) REN
SCHEMBL9755318 0.77 REN (0.57) RENCTSDCTSE
SCHEMBL7351443 0.77 REN (0.64) RENCTSDCTSE
SCHEMBL11013919 0.76 REN (0.66) REN
SCHEMBL11010625 0.76 REN (0.66) REN
SCHEMBL11013722 0.75 REN (0.58) REN
SCHEMBL7285655 0.74 REN (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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