SCHEMBL7435576

SCHEMBL7435576

CC[C@H](C)[C@H](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 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.40
KMT2A Q03164 1/20 0.39
REN P00797 7/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
APP P05067 1/20 0.38
CTSS P25774 5/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
BACE1 P56817 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
SCHEMBL7431468 0.95 CTSS (0.40) CTSDKMT2ARENPSEN1PSEN2
SCHEMBL8892505 0.92 CTSD (0.41) CTSDKMT2ARENPSEN1PSEN2
SCHEMBL8909816 0.92 CTSD (0.39) CTSDKMT2ARENPSEN1PSEN2
SCHEMBL8893998 0.90 CTSS (0.39) CTSDKMT2ARENPSEN1PSEN2
SCHEMBL7438542 0.88 REN (0.41) RENCTSSCTSLCTSB
SCHEMBL7435623 0.87 PSEN1 (0.40) CTSDKMT2ARENPSEN1PSEN2
SCHEMBL7442606 0.87 PSEN1 (0.40) CTSDKMT2ARENPSEN1PSEN2
SCHEMBL8893176 0.87 CTSS (0.41) CTSDKMT2ARENPSEN1PSEN2
SCHEMBL8893525 0.86 REN (0.42) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL8896021 0.86 REN (0.42) 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-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed