SCHEMBL7977210

SCHEMBL7977210

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
XBP1 P17861 1/20 0.31
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL7977209 1.00 MEN1 (0.35) MEN1GAAKMT2ACTSLCTSB
SCHEMBL5679507 0.85 CPB2 (0.37) MEN1GAAKMT2ACTSLCTSB
SCHEMBL7518207 0.84 CTSL (0.39) MEN1GAAKMT2ACTSLCTSB
SCHEMBL7762836 0.84 CTSL (0.39) MEN1GAAKMT2ACTSLCTSB
SCHEMBL7518209 0.84 CTSL (0.39) MEN1GAAKMT2ACTSLCTSB
SCHEMBL15015766 0.84 CTSL (0.39) MEN1GAAKMT2ACTSLCTSB
SCHEMBL7838360 0.83 CTSK (0.35) MEN1GAAKMT2ACTSLCTSB
SCHEMBL7838358 0.83 CTSK (0.35) MEN1GAAKMT2ACTSLCTSB
SCHEMBL7838363 0.83 CTSK (0.35) MEN1GAAKMT2ACTSLCTSB
SCHEMBL27450608 0.83 CTSK (0.35) MEN1GAAKMT2ACTSLCTSB

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-6281352-B1 ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-08-28 US disclosed