SCHEMBL20198726

SCHEMBL20198726

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.61
MMP9 P14780 13/20 0.61
MMP8 P22894 10/20 0.61
MMP1 P03956 10/20 0.57
MMP3 P08254 9/20 0.57
MMP13 P45452 4/20 0.57
MMP14 P50281 3/20 0.57
ADAM17 P78536 1/20 0.57
MMP7 P09237 5/20 0.49
FCER2 P06734 2/20 0.49
MMP12 P39900 2/20 0.47

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
SCHEMBL6856648 0.85 MME (0.56) MMP2MMP9MMP8MMP1MMP3
SCHEMBL8872686 0.84 MMP2 (0.76) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7997851 0.81 USP2 (0.44) MMP2MMP9MMP8MMP1MMP3
SCHEMBL8601655 0.81 MMP2 (0.65) MMP2MMP9MMP8MMP1MMP3
SCHEMBL20793033 0.81 BIRC2 (0.57) MMP2MMP9MMP8MMP1MMP3
SCHEMBL9284706 0.75 MMP9 (0.70) MMP2MMP9MMP8MMP1MMP3
SCHEMBL8269110 0.73 MME (0.61) MMP2MMP9MMP8MMP1MMP3
Ro-319790 SCHEMBL31060724 0.73 MMP1 (1.00) MMP2MMP9MMP8MMP1MMP3
Ro-319790 SCHEMBL8188276 0.73 MMP1 (1.00) MMP2MMP9MMP8MMP1MMP3
Ro-319790 SCHEMBL5494052 0.73 MMP1 (1.00) MMP2MMP9MMP8MMP1MMP3

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-2282719-B1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORP (US) 2018-05-30 EP disclosed