SCHEMBL7047645

SCHEMBL7047645

CC(C)(C)ONC(=O)CCOc1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MMP3 P08254 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL7047579 0.91 HDAC1 (0.47) MMP3KMT2AMEN1L3MBTL1
SCHEMBL8113416 0.75 L3MBTL1 (0.46) MAPTL3MBTL1
SCHEMBL7045342 0.73 HDAC1 (0.51) MMP3SMN1; SMN2
SCHEMBL7046292 0.73 L3MBTL1 (0.67) MMP3TSHRL3MBTL1MMP2
SCHEMBL29135410 0.72 HDAC8 (0.49) L3MBTL1
SCHEMBL7332479 0.72 CA12 (0.67) ALDH1A1NPC1RAB9AMAPTTSHR
SCHEMBL4411547 0.71 MMP3 (0.54) ALDH1A1MMP3NPC1RAB9ACYP1A2
SCHEMBL4410656 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2GPR35
SCHEMBL15894974 0.71 CA12 (0.68) CYP2C19KMT2AMEN1CYP2D6L3MBTL1
SCHEMBL8660751 0.70 HDAC1 (0.69) MMP3MMP1

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-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed