SCHEMBL9755311

SCHEMBL9755311

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.67
▸ CTSD P07339 3/20 0.56
▸ CTSE P14091 2/20 0.56

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
SCHEMBL14415365 0.83 REN (0.61) RENCTSDCTSE
SCHEMBL9640485 0.82 REN (0.54) RENCTSDCTSE
SCHEMBL7351443 0.75 REN (0.64) RENCTSDCTSE
Hydrochloric Acid SCHEMBL8531652 0.74 CTSD (0.53) CTSD
SCHEMBL10378904 0.74 POLB (0.54) RENCTSDCTSE
Hydrochloric Acid SCHEMBL10431267 0.73 CYP3A4 (0.58) RENCTSDCTSE
Hydrochloric Acid SCHEMBL8613009 0.72 ANPEP (0.59) CTSD
Hydrochloric Acid SCHEMBL8613014 0.72 ANPEP (0.59) CTSD
SCHEMBL15532120 0.72 REN (0.81) RENCTSDCTSE
SCHEMBL30052924 0.71 CTSD (0.64) 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 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 disclosed
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