SCHEMBL7032170

SCHEMBL7032170

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.50
MMP3 P08254 6/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 1/20 0.45
MMP1 P03956 2/20 0.44
MMP9 P14780 1/20 0.44
FPR2 P25090 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
MMP2 P08253 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL7034263 0.93 L3MBTL1 (0.50) ACEMMP3ALDH1A1KMT2AL3MBTL1
SCHEMBL7027792 0.85 MMP3 (0.47) ACEMMP3ALDH1A1KMT2AL3MBTL1
SCHEMBL11019441 0.81 EPHX1 (0.55) MMP3ALDH1A1KMT2AL3MBTL1EPHX1
SCHEMBL18603491 0.77 MMP3 (0.64) ACEMMP3ALDH1A1KMT2AMMP1
SCHEMBL7101476 0.77 L3MBTL1 (0.55) ACEMMP3ALDH1A1KMT2AL3MBTL1
SCHEMBL7162745 0.75 L3MBTL1 (0.51) ACEALDH1A1KMT2AL3MBTL1EPHX1
SCHEMBL6401372 0.74 ALDH1A1 (0.54) MMP3ALDH1A1KMT2AFPR2SMN1; SMN2
SCHEMBL27349990 0.74 ALDH1A1 (0.54) MMP3ALDH1A1KMT2AFPR2SMN1; SMN2
SCHEMBL8315015 0.74 ALDH1A1 (0.54) MMP3ALDH1A1KMT2AFPR2SMN1; SMN2
SCHEMBL7033454 0.73 MMP1 (0.45) MMP3ALDH1A1L3MBTL1EPHX1MMP1

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