SCHEMBL7034263

SCHEMBL7034263

CCCC(SCc1ccc(OC)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MMP3 P08254 5/20 0.46
ACE P12821 2/20 0.45
EPHX1 P07099 1/20 0.44
MMP1 P03956 3/20 0.44
MMP9 P14780 2/20 0.44
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.42
RECQL P46063 1/20 0.42
MMP2 P08253 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7032170 0.93 ACE (0.50) L3MBTL1ALDH1A1MMP3ACEEPHX1
SCHEMBL7027792 0.86 MMP3 (0.47) L3MBTL1ALDH1A1MMP3ACEMMP1
SCHEMBL11019441 0.78 EPHX1 (0.55) L3MBTL1ALDH1A1MMP3EPHX1MMP1
SCHEMBL7162745 0.77 L3MBTL1 (0.51) L3MBTL1ALDH1A1ACEEPHX1KMT2A
SCHEMBL7022794 0.76 SMN1; SMN2 (0.48) ALDH1A1GAARAB9A
SCHEMBL7101476 0.74 L3MBTL1 (0.55) L3MBTL1ALDH1A1MMP3ACEEPHX1
SCHEMBL28352594 0.73 ALDH1A1 (0.59) ALDH1A1KMT2AGAARAB9A
SCHEMBL18065681 0.72 ALDH1A1 (0.63) ALDH1A1MMP3MMP1KMT2AGAA
SCHEMBL4245571 0.71 ATM (0.53) L3MBTL1ALDH1A1EPHX1KMT2AGAA
SCHEMBL4248093 0.71 ATM (0.53) L3MBTL1ALDH1A1EPHX1KMT2AGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140984-B1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMA INC (US) 2003-02-12 EP disclosed
US-6352976-B1 ENZYME INHIBITORS OF MATRIX METALLOPROTEINASE FOR EMPHYSEMA AVENTIS PHARMACEUTICALS INC. 2002-03-05 US disclosed
EP-1140984-A1 SELECTIVE INHIBITORS OF MMP-12 Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040600-A1 SELECTIVE INHIBITORS OF MMP-12 AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed