SCHEMBL9640485

SCHEMBL9640485

CCC(C)C(NC(=O)C(CC(O)C(CC(C)C)N(C(=O)[C@@H](N)Cc1ccccc1)[C@H](C(N)=O)C(C)C)C(C)C)C(=O)NCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.54
▸ CTSD P07339 2/20 0.49
▸ CTSE P14091 2/20 0.49

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
SCHEMBL9755311 0.82 REN (0.67) RENCTSDCTSE
SCHEMBL14415365 0.80 REN (0.61) RENCTSDCTSE
SCHEMBL10378904 0.71 POLB (0.54) RENCTSDCTSE
SCHEMBL9822410 0.70 REN (0.52) REN
SCHEMBL10448076 0.68 REN (0.54) RENCTSDCTSE
SCHEMBL14415384 0.68 REN (0.55) RENCTSDCTSE
SCHEMBL14420310 0.68 REN (0.55) RENCTSDCTSE
Acetic Acid SCHEMBL10448160 0.68 CTSD (0.55) RENCTSD
SCHEMBL27819904 0.67 SMN1; SMN2 (0.71) —
Hydrochloric Acid SCHEMBL10431267 0.67 CYP3A4 (0.58) RENCTSDCTSE

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-0497835-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1992-08-12 — — EP disclosed
WO-1991006561-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1991-05-16 — — WO disclosed
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