SCHEMBL8107765

SCHEMBL8107765

COc1ccc(S(=O)(=O)C(C=Cc2ccccc2)[C@H](C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)NN)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.41
MMP13 P45452 8/20 0.41
MMP9 P14780 6/20 0.41
MMP2 P08253 8/20 0.38
MMP3 P08254 8/20 0.38
PDE4A P27815 7/20 0.38
PDE4B Q07343 7/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ADAM17 P78536 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
SCHEMBL6943575 1.00 MMP1 (0.41) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6941112 0.90 MMP1 (0.47) MMP1MMP13MMP9MMP2MMP3
SCHEMBL7835803 0.83 ADAM17 (0.36) ADAM17
SCHEMBL6945043 0.82 ADAM17 (0.35) MMP2MMP3ADAM17
SCHEMBL6942458 0.82 ADAM17 (0.37) ADAM17
SCHEMBL6943368 0.82 ADAM17 (0.37) ADAM17
SCHEMBL6943954 0.81 ADAM17 (0.35) ADAM17
SCHEMBL6942237 0.81 MMP1 (0.37) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6983531 0.78 REN (0.41) MMP1MMP2MMP3
SCHEMBL6986700 0.78 PSMB5 (0.36) ADAM17

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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed