SCHEMBL13616980

SCHEMBL13616980

Bc1ccccc1CCn1cccc(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.44
VEGFA P15692 1/20 0.44
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
ERAP2 Q6P179 4/20 0.40
IL1RN P18510 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
DAO P14920 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37

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
SCHEMBL13617003 0.82 MMP2 (0.46) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL217112 0.82 HDAC3 (0.50) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL9453861 0.72 EGLN1 (0.53) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL14323393 0.70 HDAC8 (0.58) HDAC8HDAC6L3MBTL1
SCHEMBL13962027 0.69 EGLN1 (0.50) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL7256310 0.69 PARP1 (0.55) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL20386655 0.69 EGLN1 (0.50) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL9453852 0.69 ALDH1A1 (0.54) EGLN1VEGFAMMP2MMP9L3MBTL1
SCHEMBL15118465 0.69 EGLN1 (0.50) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL1770083 0.69 EGLN1 (0.62) EGLN1VEGFAALDH1A1

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-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed