SCHEMBL7751859

SCHEMBL7751859

CNC(=O)[C@@H](NC=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 18/20 0.39
MMP1 P03956 17/20 0.39
MMP2 P08253 15/20 0.39
MMP9 P14780 9/20 0.39
MMP8 P22894 4/20 0.39
MMP13 P45452 3/20 0.39
MMP7 P09237 4/20 0.38
ADAM17 P78536 4/20 0.38
TNF P01375 3/20 0.38
MMP14 P50281 2/20 0.38
MMP20 O60882 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP10 P09238 1/20 0.38
MMP12 P39900 1/20 0.38
MMP15 P51511 1/20 0.38
MMP16 P51512 1/20 0.38
MMP25 Q9NPA2 1/20 0.38
MMP26 Q9NRE1 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MMP24 Q9Y5R2 1/20 0.38

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
SCHEMBL23447658 0.82 MMP3 (0.35) MMP3MMP1MMP2MMP9MMP8
SCHEMBL2775611 0.77 CA2 (0.38)
SCHEMBL771500 0.77 CA2 (0.38)
SCHEMBL15338708 0.77 ADH1B (0.36)
SCHEMBL30846729 0.77 ADH1B (0.36)
SCHEMBL6018338 0.77 ADH1B (0.36)
SCHEMBL7049466 0.75 MMP1 (0.58) MMP3MMP1MMP2MMP9MMP8
SCHEMBL27559855 0.75 MMP1 (0.58) MMP3MMP1MMP2MMP9MMP8
SCHEMBL14113439 0.74 TSHR (0.44)
SCHEMBL9033596 0.74 TSHR (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001030807-A1 PROCESS FOR THE PREPARATION OF A DIPEPTIDE AND INTERMEDIATE PRODUCT IN SUCH A PROCESS DSM N.V. (NL) 2001-05-03 WO disclosed