SCHEMBL8564549

SCHEMBL8564549

COC(=O)[C@H](C[C@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.39
CTSS P25774 5/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8564547 1.00 CTSK (0.39) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL8570019 0.82 CTSK (0.48) CTSKCA1CA2CA7
SCHEMBL8563614 0.82 CTSK (0.48) CTSKCA1CA2CA7
SCHEMBL8563616 0.82 CTSK (0.48) CTSKCA1CA2CA7
SCHEMBL30441268 0.81 CTSK (0.44) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL18082620 0.80 CTSK (0.43) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL25008491 0.80 CTSK (0.49) CTSKCTSSCTSLCTSBPSENEN
SCHEMBL18082613 0.79 CTSK (0.42) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL3935052 0.78 SMN1; SMN2 (0.44) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL3194820 0.77 CTSK (0.43) CTSKCTSSCTSLCTSBPSEN1

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed