SCHEMBL16856542

SCHEMBL16856542

CC(C)(C)OC(=O)N[C@@H](CP)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CTSS P25774 6/20 0.50
PPARA Q07869 7/20 0.48
PPARG P37231 6/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ACE P12821 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
PPARD Q03181 2/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL22987316 0.84 MEN1 (0.45) CTSKCTSSPPARAPPARGCTSL
SCHEMBL1951491 0.83 CTSK (0.64) CTSKCTSSPPARAPPARGCTSL
SCHEMBL47301 0.83 TGFBR1 (0.52) CTSKCTSSPPARAPPARGCTSL
SCHEMBL835996 0.83 CTSK (0.64) CTSKCTSSPPARAPPARGCTSL
SCHEMBL318796 0.83 CTSK (0.64) CTSKCTSSPPARAPPARGCTSL
SCHEMBL315980 0.83 TGFBR1 (0.52) CTSKCTSSPPARAPPARGCTSL
SCHEMBL47290 0.83 TGFBR1 (0.52) CTSKCTSSPPARAPPARGCTSL
SCHEMBL2769978 0.82 FOLH1 (0.56) CTSKCTSSPPARAPPARGACE
SCHEMBL1318658 0.82 FOLH1 (0.56) CTSKCTSSPPARAPPARGACE
SCHEMBL1324835 0.82 FOLH1 (0.56) CTSKCTSSPPARAPPARGACE

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
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 WO disclosed