SCHEMBL8892847

SCHEMBL8892847

CC(C)C(NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)CC(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.48
PSMB1 P20618 2/20 0.46
PSMB8 P28062 2/20 0.46
PSMB9 P28065 2/20 0.46
PSMB5 P28074 2/20 0.46
PSMB10 P40306 1/20 0.46
PSMB2 P49721 1/20 0.46
YAP1 P46937 1/20 0.46
CTSD P07339 1/20 0.44
PGA5 P0DJD9 1/20 0.44
CTSE P14091 1/20 0.44
PGC P20142 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
SCHEMBL8892424 0.94 REN (0.49) RENCTSDPGA5CTSEPGC
SCHEMBL8892017 0.94 REN (0.51) RENCTSDPGA5CTSEPGC
SCHEMBL8891461 0.91 PSMB1 (0.44) RENPSMB1PSMB8PSMB9PSMB5
SCHEMBL1006593 0.86 PSEN1 (0.54) REN
SCHEMBL8893248 0.86 PSEN1 (0.54) REN
SCHEMBL8892662 0.85 REN (0.42) RENPSMB8PSMB9PSMB5PSMB10
SCHEMBL8892093 0.85 REN (0.42) REN
SCHEMBL8893525 0.84 REN (0.42) RENPSMB1PSMB8PSMB9PSMB5
SCHEMBL8895266 0.84 REN (0.42) RENPSMB1PSMB8PSMB9PSMB5
SCHEMBL8896021 0.84 REN (0.42) RENPSMB1PSMB8PSMB9PSMB5

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-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed