SCHEMBL9714153

SCHEMBL9714153

CC(C)C[C@@H](C(=O)N(C)C(=O)[C@@H](N)C(C)(C)C)[C@H](C)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.49
MMP2 P08253 9/20 0.49
MMP3 P08254 7/20 0.49
MMP8 P22894 5/20 0.49
MMP9 P14780 5/20 0.49
MMP13 P45452 3/20 0.49
ADAM17 P78536 10/20 0.39
MMP7 P09237 3/20 0.39
MMP14 P50281 3/20 0.39
TNF P01375 2/20 0.39
MMP20 O60882 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP10 P09238 1/20 0.39
MMP12 P39900 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
MMP25 Q9NPA2 1/20 0.39
MMP26 Q9NRE1 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MMP24 Q9Y5R2 1/20 0.39

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
SCHEMBL9714087 0.84 MMP1 (0.41) MMP1MMP2MMP3MMP8MMP9
SCHEMBL6435813 0.75 MMP2 (0.48) MMP1MMP2MMP3MMP8MMP9
SCHEMBL8872304 0.70 MMP1 (0.51) MMP1MMP2MMP3MMP8MMP9
SCHEMBL8872299 0.70 MMP1 (0.51) MMP1MMP2MMP3MMP8MMP9
SCHEMBL9714184 0.70 DPP4 (0.40) MMP1MMP2MMP3MMP8MMP9
SCHEMBL9714104 0.66 DPP4 (0.36) DPP4
SCHEMBL9714151 0.66 MMP1 (1.00) MMP1MMP2MMP3MMP8MMP9
SCHEMBL10002508 0.65 DPP4 (0.50) MMP1MMP2MMP3MMP8MMP9
SCHEMBL20472978 0.65 DPP4 (0.50) MMP1MMP2MMP3MMP8MMP9
SCHEMBL21086856 0.63 DPP4 (0.58) DPP4

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