SCHEMBL6943385

SCHEMBL6943385

CC(=O)N(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.44
MMP3 P08254 3/20 0.44
MMP9 P14780 2/20 0.44
CTSK P43235 4/20 0.38
CTSS P25774 1/20 0.38
MMP13 P45452 1/20 0.38
REN P00797 3/20 0.37
MMP8 P22894 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 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
SCHEMBL6943313 0.90 CTSK (0.41) MMP1MMP3MMP9CTSKCTSS
SCHEMBL6943309 0.90 CTSK (0.41) MMP1MMP3MMP9CTSKCTSS
SCHEMBL6941577 0.85 MMP1 (0.50) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7827850 0.83 MMP1 (0.46) MMP1MMP3MMP9CTSKCTSS
SCHEMBL7853167 0.83 MMP1 (0.46) MMP1MMP3MMP9CTSKCTSS
SCHEMBL7836454 0.83 MMP1 (0.46) MMP1MMP3MMP9CTSKCTSS
SCHEMBL7853162 0.83 MMP1 (0.46) MMP1MMP3MMP9CTSKCTSS
SCHEMBL6943292 0.81 MMP3 (0.45) MMP1MMP3MMP9CTSKCTSS
SCHEMBL6659520 0.81 MMP3 (0.45) MMP1MMP3MMP9CTSKCTSS
SCHEMBL6943287 0.81 MMP3 (0.45) MMP1MMP3MMP9CTSKCTSS

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