SCHEMBL3820796

SCHEMBL3820796

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.39
CTSS P25774 6/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
PPARA Q07869 5/20 0.36
PPARG P37231 4/20 0.36
ACE P12821 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
PPARD Q03181 2/20 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
SCHEMBL2367189 0.81 CTSK (0.48) CTSKCTSSCTSLCTSBPPARA
SCHEMBL903742 0.81 CTSK (0.48) CTSKCTSSCTSLCTSBPPARA
SCHEMBL2367381 0.81 CTSK (0.48) CTSKCTSSCTSLCTSBPPARA
SCHEMBL5203895 0.80 CYP3A4 (0.46) CTSKCTSSCTSLCTSBPPARA
SCHEMBL14190234 0.76 CTSS (0.47) CTSKCTSSCTSLCTSBPPARA
SCHEMBL27245127 0.74 CTSK (0.56) CTSKCTSSJAK3BTK
SCHEMBL27245117 0.74 CTSK (0.56) CTSKCTSSJAK3BTK
SCHEMBL3820797 0.74 MMP13 (0.36) CTSKCTSSCTSLCTSB
SCHEMBL3826119 0.73 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL8706268 0.73 ACE (0.58) CTSKCTSSCTSLCTSBPPARA

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-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed