SCHEMBL9755323

SCHEMBL9755323

CCC(C)C(NC(=O)C(CC1CCCCC1)CC(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.57
▸ CTSE P14091 4/20 0.57
▸ CTSD P07339 3/20 0.57

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
SCHEMBL7370152 0.78 REN (0.56) RENCTSECTSD
SCHEMBL7351443 0.77 REN (0.64) RENCTSECTSD
SCHEMBL9727612 0.71 REN (0.53) REN
SCHEMBL9727621 0.71 REN (0.53) REN
SCHEMBL9755318 0.71 REN (0.57) RENCTSECTSD
SCHEMBL11039196 0.71 REN (0.50) RENCTSD
SCHEMBL7285659 0.71 REN (0.49) RENCTSD
SCHEMBL7285655 0.71 REN (0.49) RENCTSD
SCHEMBL9876339 0.70 REN (0.63) REN
SCHEMBL7316741 0.70 REN (0.45) RENCTSECTSD

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
WO-1991006561-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1991-05-16 — — WO claimed
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