SCHEMBL8871309

SCHEMBL8871309

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.40
MMP8 P22894 7/20 0.40
MMP9 P14780 4/20 0.40
FCER2 P06734 6/20 0.40
MMP1 P03956 11/20 0.38
MMP13 P45452 3/20 0.38
MMP3 P08254 8/20 0.37
TNF P01375 2/20 0.37
ADAM17 P78536 2/20 0.37
MMP7 P09237 4/20 0.35
MMP20 O60882 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP10 P09238 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
MMP15 P51511 1/20 0.35
MMP16 P51512 1/20 0.35
MMP25 Q9NPA2 1/20 0.35
MMP26 Q9NRE1 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL8871312 1.00 MMP2 (0.40) MMP2MMP8MMP9FCER2MMP1
SCHEMBL8872299 0.75 MMP1 (0.51) MMP2MMP8MMP9FCER2MMP1
SCHEMBL8872304 0.75 MMP1 (0.51) MMP2MMP8MMP9FCER2MMP1
SCHEMBL8871692 0.74 MMP2 (0.58) MMP2MMP8MMP9FCER2MMP1
SCHEMBL8871696 0.74 MMP2 (0.58) MMP2MMP8MMP9FCER2MMP1
SCHEMBL8872951 0.74 MMP2 (0.57) MMP2MMP8MMP9FCER2MMP1
SCHEMBL8872944 0.74 MMP2 (0.57) MMP2MMP8MMP9FCER2MMP1
SCHEMBL7377058 0.73 HDAC7 (0.46) MMP2MMP8MMP9FCER2MMP1
SCHEMBL7841776 0.71 GRIK1 (0.34)
SCHEMBL25381978 0.67 MMP8 (0.50) MMP8FCER2ECE1

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
US-5703092-A TREATING ARTHRITIS, OTHER INFLAMMATORY DISEASES MEDIATED BY MATRIX METALLOPROTEINASE AND/OR TUMOR NECROSIS FACTOR THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-30 US claimed
US-5703092-A TREATING ARTHRITIS, OTHER INFLAMMATORY DISEASES MEDIATED BY MATRIX METALLOPROTEINASE AND/OR TUMOR NECROSIS FACTOR THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-30 US disclosed