SCHEMBL7764157

SCHEMBL7764157

CC(C)[C@@H](C(=O)O)C(CCCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
NTSR1 P30989 1/20 0.43
MAPT P10636 2/20 0.43
SYK P43405 1/20 0.43
KCNA5 P22460 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CTSK P43235 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TACR1 P25103 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
KLK7 P49862 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
SCHEMBL7764156 1.00 PLAU (0.43) PLAUNTSR1MAPTSYKKCNA5
SCHEMBL7762013 0.88 POLB (0.46) PLAUNTSR1MAPTSYKKCNA5
SCHEMBL7762011 0.88 POLB (0.46) PLAUNTSR1MAPTSYKKCNA5
SCHEMBL7764166 0.87 MMP3 (0.46) KMT2ACTSKMMP1MMP3MMP9
SCHEMBL6980852 0.87 MMP3 (0.46) KMT2ACTSKMMP1MMP3MMP9
SCHEMBL6980849 0.87 MMP3 (0.46) KMT2ACTSKMMP1MMP3MMP9
SCHEMBL7762862 0.77 KCNA5 (0.47) MAPTSYKKCNA5POLBGPR55
SCHEMBL7762867 0.77 KCNA5 (0.47) MAPTSYKKCNA5POLBGPR55
SCHEMBL14485285 0.77 SYK (0.62) PLAUNTSR1MAPTSYKMEN1
SCHEMBL7759196 0.77 POLB (0.49) PLAUNTSR1MAPTSYKKCNA5

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-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed