SCHEMBL9603343

SCHEMBL9603343

CC(C)CC(CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.71
MMP8 P22894 4/20 0.71
ECE1 P42892 7/20 0.69
NMBR P28336 2/20 0.65
MMP2 P08253 3/20 0.64
MMP7 P09237 1/20 0.64
MMP14 P50281 1/20 0.64
MME P08473 2/20 0.63
ERAP1 Q9NZ08 3/20 0.62
ANPEP P15144 2/20 0.62
ERAP2 Q6P179 2/20 0.62
IL1RN P18510 1/20 0.61

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
SCHEMBL6575453 0.93 MMP2 (0.72) MMP9MMP8NMBRMMP2MMP7
SCHEMBL12052771 0.90 NMBR (0.71) MMP9MMP8ECE1NMBRMME
SCHEMBL12052806 0.90 NMBR (0.71) MMP9MMP8ECE1NMBRMME
SCHEMBL29404813 0.89 MMP9 (0.64) MMP9MMP8ECE1NMBRERAP1
SCHEMBL6431245 0.87 MMP8 (0.75) MMP9MMP8NMBRMMP2MMP7
SCHEMBL6431194 0.87 ECE1 (0.79) MMP9MMP8ECE1MMP2MMP7
SCHEMBL7275505 0.86 NMBR (0.74) MMP9MMP8ECE1NMBRMMP2
SCHEMBL12062839 0.85 NMBR (0.69) MMP9MMP8ECE1NMBRMMP2
SCHEMBL12052755 0.85 NMBR (0.69) MMP9MMP8ECE1NMBRMMP2
SCHEMBL8098291 0.85 NMBR (0.69) MMP9MMP8ECE1NMBRMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189178-A Preventing protein destruction GALARDY RICHARD E (US) 1993-02-23 US disclosed