SCHEMBL7276975

SCHEMBL7276975

CC(C)C[C@@H](C(=O)OCc1ccccc1)C(Cn1c(=O)n(C)n(C)c1=O)(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.37
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
SYK P43405 1/20 0.35
POLB P06746 3/20 0.35
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
RECQL P46063 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34

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
SCHEMBL9326544 0.85 CTSK (0.42) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL7373003 0.84 RAB9A (0.41) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL5093810 0.84 RAB9A (0.41) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9329333 0.81 CTSB (0.43) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9327794 0.81 RAB9A (0.39) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9326476 0.81 MAPT (0.43) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9326520 0.80 CTSK (0.39) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL9326565 0.80 CTSK (0.39) CTSKMAPTXBP1NPSR1TDP1
SCHEMBL7405620 0.78 RAB9A (0.42) CTSKMAPTMEN1KMT2ASYK
SCHEMBL7405615 0.78 RAB9A (0.42) CTSKMAPTMEN1KMT2ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574758-B1 Hydroxamic acid derivatives as collagenase inhibitors HOFFMANN LA ROCHE (CH) 1998-09-09 EP disclosed
US-5447929-A Collagenase inhibitors for degenerative joint disease, antitumor agents or atherosclerosis HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed
US-5318964-A Collangenase inhibitors; antiarthritic and -tumor agents; rheumatic diseases; osteoarthritis; atherosclerosis; multiple sclerosis HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
EP-0574758-A1 Hydroxamic acid derivatives as collagenase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1993-12-22 EP disclosed