SCHEMBL7424919

SCHEMBL7424919

CC1(C)OC(=O)[C@H]([C@@H](CC#Cc2ccc(Cl)cc2)C(=O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.35
MMP13 P45452 3/20 0.35
MMP3 P08254 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACACB O00763 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
MMP9 P14780 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MMP12 P39900 1/20 0.31
SLC1A5 Q15758 1/20 0.31
RAB9A P51151 1/20 0.30
ABCC9 O60706 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL7422145 0.91 GRIK1 (0.40) MMP2MMP13MMP3GRIK1GRIK2
SCHEMBL7421531 0.89 MMP13 (0.41) MMP2MMP13MMP3ACACBGRIK1
SCHEMBL8271393 0.71 CYP1A2 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3872212 0.70 L3MBTL1 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1609861 0.70 L3MBTL1 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2247539 0.70 L3MBTL1 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1610132 0.70 L3MBTL1 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL18302853 0.68 SLC1A1 (0.41) MEN1KMT2A
SCHEMBL18302851 0.68 SLC1A1 (0.41) MEN1KMT2A
SCHEMBL11127558 0.67 MEN1 (0.44) MMP2MMP13MMP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944587-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2002-03-20 EP disclosed
EP-0944587-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 WO disclosed