SCHEMBL6943313

SCHEMBL6943313

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MAPT P10636 1/20 0.40
CTSL P07711 5/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
REN P00797 1/20 0.37
PSMB5 P28074 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
SCHEMBL6943309 1.00 CTSK (0.41) CTSKSMN1; SMN2MMP1MMP3MMP9
SCHEMBL6943385 0.90 MMP1 (0.44) CTSKSMN1; SMN2MMP1MMP3MMP9
SCHEMBL6939528 0.88 MMP1 (0.47) CTSKMMP1MMP3MAPTCTSL
SCHEMBL6939522 0.88 MMP1 (0.47) CTSKMMP1MMP3MAPTCTSL
SCHEMBL6943316 0.85 CTSK (0.38) CTSKSMN1; SMN2MMP1MMP3MMP9
SCHEMBL7827850 0.80 MMP1 (0.46) CTSKMMP1MMP3MMP9MAPT
SCHEMBL7853167 0.80 MMP1 (0.46) CTSKMMP1MMP3MMP9MAPT
SCHEMBL7853162 0.80 MMP1 (0.46) CTSKMMP1MMP3MMP9MAPT
SCHEMBL7836454 0.80 MMP1 (0.46) CTSKMMP1MMP3MMP9MAPT
SCHEMBL6940310 0.80 MMP3 (0.44) CTSKSMN1; SMN2MMP1MMP3MMP9

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-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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed