SCHEMBL8893525

SCHEMBL8893525

CC(C)C(NC(=O)C(Cc1ccccc1)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.42
PSMB1 P20618 10/20 0.42
PSMB9 P28065 9/20 0.42
PSMB5 P28074 9/20 0.42
PSMB8 P28062 8/20 0.42
PSMB10 P40306 6/20 0.42
PSMB2 P49721 5/20 0.42
YAP1 P46937 2/20 0.41
BCL2 P10415 1/20 0.40
CASP3 P42574 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
APP P05067 1/20 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
SCHEMBL8896021 1.00 REN (0.42) RENPSMB1PSMB9PSMB5PSMB8
SCHEMBL8895266 1.00 REN (0.42) RENPSMB1PSMB9PSMB5PSMB8
SCHEMBL8892225 0.94 REN (0.40) RENPSMB1PSMB9PSMB5PSMB8
SCHEMBL8891461 0.93 PSMB1 (0.44) RENPSMB1PSMB9PSMB5PSMB8
SCHEMBL7435623 0.92 PSEN1 (0.40) RENCASP3PSEN1PSEN2APH1B
SCHEMBL7442606 0.92 PSEN1 (0.40) RENCASP3PSEN1PSEN2APH1B
SCHEMBL7431468 0.92 CTSS (0.40) RENCASP3PSEN1PSEN2APH1B
SCHEMBL8894701 0.91 PSEN1 (0.39) RENCASP3PSEN1PSEN2APH1B
SCHEMBL8892829 0.91 PSEN1 (0.39) RENCASP3PSEN1PSEN2APH1B
SCHEMBL8892890 0.90 REN (0.39) RENCASP3PSEN1PSEN2APH1B

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