SCHEMBL24170632

SCHEMBL24170632

CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NS(=O)(=O)CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 13/20 0.69
▸ MMP1 P03956 12/20 0.69
▸ MMP9 P14780 8/20 0.69
▸ MMP8 P22894 8/20 0.69
▸ MMP14 P50281 4/20 0.61
▸ MMP3 P08254 2/20 0.61
▸ ADAM10 O14672 1/20 0.61
▸ ADAM12 O43184 1/20 0.61
▸ ADAMTS4 O75173 1/20 0.61
▸ MMP7 P09237 1/20 0.61
▸ MMP12 P39900 1/20 0.61
▸ MMP13 P45452 1/20 0.61
▸ MMP15 P51511 1/20 0.61
▸ MMP16 P51512 1/20 0.61
▸ ADAM17 P78536 1/20 0.61
▸ ADAM9 Q13443 1/20 0.61
▸ MMP26 Q9NRE1 1/20 0.61
▸ MMP17 Q9ULZ9 1/20 0.61
▸ ADAMTS5 Q9UNA0 1/20 0.61
▸ ECE1 P42892 2/20 0.57

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
SCHEMBL24170629 0.93 MMP2 (0.64) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24170630 0.92 MMP2 (0.62) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24171257 0.92 MMP2 (0.67) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24171245 0.90 MMP2 (0.65) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24171244 0.90 MMP2 (0.65) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24171242 0.90 MMP2 (0.65) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24171223 0.90 MMP2 (0.65) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24170627 0.90 MMP2 (0.69) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24171253 0.89 MMP2 (0.68) MMP2MMP1MMP9MMP8MMP14
SCHEMBL24170939 0.89 MMP2 (0.68) MMP2MMP1MMP9MMP8MMP14

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
WO-2022000071-A1 MATRIX METALLOPROTEINASE INHIBITORS (MMPIS) BRANDON UNIVERSITY (CA) 2022-01-06 — — WO disclosed
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