SCHEMBL9326476

SCHEMBL9326476

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MMP1 P03956 4/20 0.41
MMP2 P08253 4/20 0.41
MMP3 P08254 4/20 0.41
CTSK P43235 4/20 0.40
CTSB P07858 1/20 0.40
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SYK P43405 1/20 0.38
POLB P06746 3/20 0.38
GAA P10253 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL9329333 0.92 CTSB (0.43) MAPTCTSKCTSBXBP1NPSR1
SCHEMBL9326544 0.88 CTSK (0.42) MAPTCTSKCTSBXBP1NPSR1
SCHEMBL9327763 0.88 LMNA (0.39) MAPTCTSKCTSBXBP1NPSR1
SCHEMBL9327719 0.87 CTSK (0.37) MAPTCTSKCTSBXBP1NPSR1
SCHEMBL13904664 0.87 MMP1 (0.45) MAPTMMP1MMP2MMP3CTSK
SCHEMBL9326565 0.84 CTSK (0.39) MAPTCTSKCTSBXBP1NPSR1
SCHEMBL9326520 0.84 CTSK (0.39) MAPTCTSKCTSBXBP1NPSR1
SCHEMBL29220175 0.82 ALDH1A1 (0.46) MAPTCTSBTDP1
SCHEMBL9327786 0.81 ALDH1A1 (0.41) MAPTCTSKCTSBXBP1NPSR1
SCHEMBL7373003 0.81 RAB9A (0.41) MAPTCTSKXBP1NPSR1TDP1

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