SCHEMBL9327786

SCHEMBL9327786

CC(=O)OCCCC(C(=O)OCc1ccccc1)(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CTSK P43235 5/20 0.38
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
SYK P43405 1/20 0.36
POLB P06746 3/20 0.36
GAA P10253 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CTSB P07858 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 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
SCHEMBL9326565 0.89 CTSK (0.39) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9326544 0.84 CTSK (0.42) ALDH1A1CTSKMAPTXBP1NPSR1
SCHEMBL9329333 0.82 CTSB (0.43) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9326476 0.81 MAPT (0.43) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9326520 0.81 CTSK (0.39) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9327794 0.80 RAB9A (0.39) ALDH1A1CTSKMAPTXBP1NPSR1
SCHEMBL9327763 0.78 LMNA (0.39) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL7373003 0.77 RAB9A (0.41) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL5093810 0.77 RAB9A (0.41) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9327719 0.77 CTSK (0.37) CTSKMAPTXBP1NPSR1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 US disclosed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed