SCHEMBL7145985

SCHEMBL7145985

CC(C)(C)O[C@@H]1CC(C(=O)OCc2ccccc2)N(S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.47
CCR4 P51679 5/20 0.44
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
ECE1 P42892 2/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
ELANE P08246 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADAM17 P78536 1/20 0.39
FKBP1A P62942 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5415716 1.00 MMP9 (0.47) MMP9CCR4MMEACEECE1
SCHEMBL5406228 0.84 MMP1 (0.49) MMP9CCR4MMEACEECE1
SCHEMBL5722976 0.84 CCR4 (0.45) MMP9CCR4MMEACEECE1
SCHEMBL6979587 0.84 MMP1 (0.49) MMP9CCR4MMEACEECE1
SCHEMBL5420131 0.84 CCR4 (0.45) MMP9CCR4MMEACEECE1
SCHEMBL7138127 0.84 CCR4 (0.45) MMP9CCR4MMEACEECE1
SCHEMBL5415738 0.81 MMP9 (0.41) MMP9CCR4ECE1MMP1MMP3
SCHEMBL5404212 0.78 LMNA (0.44) CCR4MMEACEECE1AKR1C3
SCHEMBL5404204 0.78 LMNA (0.44) CCR4MMEACEECE1AKR1C3
SCHEMBL5415765 0.77 MMP1 (0.47) MMP9MMEACEECE1MMP1

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-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed