SCHEMBL7980261

SCHEMBL7980261

CNC(=S)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.57
MMP9 P14780 8/20 0.57
MMP8 P22894 7/20 0.57
MMP1 P03956 8/20 0.48
MMP3 P08254 7/20 0.48
MMP7 P09237 3/20 0.48
MMP14 P50281 3/20 0.48
ADAM17 P78536 2/20 0.48
MMP20 O60882 1/20 0.48
ADAMTS4 O75173 1/20 0.48
TNF P01375 1/20 0.48
MMP10 P09238 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
MMP15 P51511 1/20 0.48
MMP16 P51512 1/20 0.48
MMP25 Q9NPA2 1/20 0.48
MMP26 Q9NRE1 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
MMP24 Q9Y5R2 1/20 0.48

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
SCHEMBL13274200 0.90 MMP2 (0.68) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6838745 0.90 MMP2 (0.68) MMP2MMP9MMP8MMP1MMP3
SCHEMBL14081288 0.74 MMP2 (1.00) MMP2MMP9MMP8MMP1MMP3
SCHEMBL30833289 0.73 MMP2 (0.44) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7983019 0.72 ADAM17 (0.78) MMP2MMP9MMP8MMP1MMP3
SCHEMBL19286780 0.70 MMP2 (0.75) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7071281 0.69 LTA4H (0.50) MMP2MMP1MMP3LTA4H
SCHEMBL14081273 0.68 MMP2 (0.75) MMP2MMP9MMP8MMP1MMP3
SCHEMBL4422008 0.67 MMP2 (0.47) MMP2MMP9MMP8MMP1MMP3
SCHEMBL14081338 0.66 MMP2 (0.71) 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
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed