SCHEMBL9258466

SCHEMBL9258466

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.33
RECQL P46063 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL7762836 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL15015766 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7518209 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7518207 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL5680147 0.85 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL5680140 0.85 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7525464 0.85 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7525465 0.85 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7765807 0.85 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7765816 0.85 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP

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-1995029892-A1 HYDROXAMIC ACID AND AMINO ACID DERIVATIVES AND THEIR USE AS ANTI-ARTHRITIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-09 WO disclosed