SCHEMBL6943316

SCHEMBL6943316

CC(C)C[C@@H](CNN(C(=O)OCc1ccccc1)c1ccccc1)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
PSMB5 P28074 1/20 0.37
SYK P43405 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CTSL P07711 3/20 0.36
CTSS P25774 2/20 0.36
CTSB P07858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6939530 0.87 MMP8 (0.42) CTSKMMP1MMP3MMP8CTSL
SCHEMBL6943309 0.85 CTSK (0.41) CTSKMMP1MMP3MMP9PSMB5
SCHEMBL6943313 0.85 CTSK (0.41) CTSKMMP1MMP3MMP9PSMB5
SCHEMBL6943385 0.76 MMP1 (0.44) CTSKMMP1MMP3MMP9MMP8
SCHEMBL27471004 0.76 MMP3 (0.42) CTSKMMP1MMP3MMP9SYK
SCHEMBL7837093 0.74 MMP1 (0.44) MMP1MMP3MMP9POLB
SCHEMBL7837095 0.74 MMP1 (0.44) MMP1MMP3MMP9POLB
SCHEMBL6939522 0.74 MMP1 (0.47) CTSKMMP1MMP3MMP8CTSL
SCHEMBL6939528 0.74 MMP1 (0.47) CTSKMMP1MMP3MMP8CTSL
SCHEMBL6659518 0.74 MMP3 (0.45) CTSKMMP1MMP3MMP9MMP8

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
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed