SCHEMBL7438542

SCHEMBL7438542

CC(C)C(NC(=O)C(Cc1ccc(C#N)cc1)CC(O[Si](C)(C)C(C)(C)C)C(CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.41
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39

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
SCHEMBL8892093 0.93 REN (0.42) REN
SCHEMBL7431575 0.93 REN (0.42) REN
SCHEMBL7431468 0.93 CTSS (0.40) RENCTSLCTSBCTSS
SCHEMBL8891461 0.92 PSMB1 (0.44) REN
SCHEMBL8892662 0.92 REN (0.42) REN
SCHEMBL7429993 0.88 REN (0.43) REN
SCHEMBL8893998 0.88 CTSS (0.39) RENCTSLCTSBCTSS
SCHEMBL7435576 0.88 CTSD (0.40) RENCTSLCTSBCTSS
SCHEMBL7434937 0.87 REN (0.41) REN
SCHEMBL7435623 0.85 PSEN1 (0.40) RENCTSS

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
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed