SCHEMBL7435182

SCHEMBL7435182

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](C[C@@H](Cc1ccc(CF)cc1)C(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
CTSK P43235 5/20 0.44
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
APP P05067 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KLK5 Q9Y337 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
ATM Q13315 2/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7435179 1.00 CTSS (0.44) CTSSCTSKITGB3ITGA2BAPP
SCHEMBL7426534 0.96 CTSS (0.47) CTSSCTSKITGB3ITGA2BAPP
SCHEMBL7426537 0.96 CTSS (0.47) CTSSCTSKITGB3ITGA2BAPP
SCHEMBL7435053 0.94 CTSS (0.45) CTSSCTSKAPPPSEN1PSEN2
SCHEMBL7435046 0.94 CTSS (0.45) CTSSCTSKAPPPSEN1PSEN2
SCHEMBL8893282 0.91 CTSS (0.43) CTSSCTSKITGB3ITGA2BAPP
SCHEMBL8892327 0.91 CTSS (0.43) CTSSCTSKITGB3ITGA2BAPP
SCHEMBL8893278 0.91 CTSS (0.43) CTSSCTSKITGB3ITGA2BAPP
SCHEMBL8893743 0.91 CTSS (0.43) CTSSCTSKITGB3ITGA2BAPP
SCHEMBL8892335 0.91 CTSS (0.43) CTSSCTSKITGB3ITGA2BAPP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed