SCHEMBL9714246

SCHEMBL9714246

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.67
MMP3 P08254 13/20 0.67
MMP2 P08253 10/20 0.67
MMP9 P14780 9/20 0.67
ADAM17 P78536 6/20 0.67
MMP8 P22894 4/20 0.67
MMP13 P45452 4/20 0.67
MMP14 P50281 2/20 0.67
MMP7 P09237 3/20 0.50
TNF P01375 2/20 0.50
MMP20 O60882 1/20 0.50
ADAMTS4 O75173 1/20 0.50
MMP10 P09238 1/20 0.50
MMP12 P39900 1/20 0.50
MMP15 P51511 1/20 0.50
MMP16 P51512 1/20 0.50
MMP25 Q9NPA2 1/20 0.50
MMP26 Q9NRE1 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
MMP24 Q9Y5R2 1/20 0.50

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
SCHEMBL5098019 1.00 MMP1 (0.67) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL4634101 0.89 MMP1 (0.71) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL4634097 0.89 MMP1 (0.71) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL8537844 0.88 MMP3 (0.54) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL8050661 0.87 MMP1 (0.48) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL4633112 0.83 MMP3 (0.74) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL5088865 0.83 MMP3 (0.74) MMP1MMP3MMP2MMP9ADAM17
Ro-319790 SCHEMBL8188276 0.81 MMP1 (1.00) MMP1MMP3MMP2MMP9ADAM17
Ro-319790 SCHEMBL5494052 0.81 MMP1 (1.00) MMP1MMP3MMP2MMP9ADAM17
Ro-319790 SCHEMBL4633699 0.81 MMP1 (1.00) MMP1MMP3MMP2MMP9ADAM17

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
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed