SCHEMBL8894905

SCHEMBL8894905

COCC(=O)OC(CC(Cc1ccc(F)cc1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(=O)N1CCOCC1)C(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
PSEN1 P49768 6/20 0.39
PSEN2 P49810 6/20 0.39
APH1B Q8WW43 6/20 0.39
NCSTN Q92542 6/20 0.39
APH1A Q96BI3 6/20 0.39
PSENEN Q9NZ42 6/20 0.39
CTSD P07339 2/20 0.39
APP P05067 1/20 0.39
BACE1 P56817 4/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL8893758 1.00 REN (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8896478 0.94 CASP3 (0.39) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8894487 0.93 REN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8894797 0.91 KMT2A (0.38) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8893723 0.91 REN (0.44) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8893662 0.90 REN (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8893326 0.90 CTSD (0.39) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8893150 0.90 CTSD (0.39) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8893045 0.90 CASP3 (0.38) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7435623 0.89 PSEN1 (0.40) RENPSEN1PSEN2APH1BNCSTN

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