SCHEMBL5379426

SCHEMBL5379426

CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.66
MMP9 P14780 13/20 0.66
MMP14 P50281 13/20 0.66
MMP8 P22894 12/20 0.66
NMBR P28336 2/20 0.66
MAPT P10636 2/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
MMP11 P24347 2/20 0.64
ECE1 P42892 1/20 0.63
MMP7 P09237 1/20 0.63
ANPEP P15144 1/20 0.62
ERAP1 Q9NZ08 1/20 0.62
LMNA P02545 1/20 0.62

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
SCHEMBL5379085 0.93 NMBR (0.68) MMP2MMP9MMP14MMP8NMBR
SCHEMBL5556658 0.93 NMBR (0.74) MMP2MMP9MMP14MMP8NMBR
SCHEMBL5383425 0.92 NMBR (0.67) MMP2MMP9MMP14MMP8NMBR
SCHEMBL5399966 0.91 NMBR (0.71) MMP2MMP9MMP14MMP8NMBR
SCHEMBL29472048 0.91 NMBR (0.73) MMP2MMP9MMP14MMP8NMBR
SCHEMBL1711383 0.91 NMBR (0.73) MMP2MMP9MMP14MMP8NMBR
SCHEMBL5381814 0.91 NMBR (0.73) MMP2MMP9MMP14MMP8NMBR
SCHEMBL5384805 0.90 CCKBR (0.66) MMP2MMP9MMP14MMP8NMBR
SCHEMBL11699855 0.88 CCKBR (0.68) MMP2MMP9MMP14MMP8NMBR
SCHEMBL5374307 0.86 NMBR (0.65) MMP2MMP9MMP14MMP8NMBR

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
US-7163671-B2 Long-term stabilized formulations CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-16 US disclosed
US-20030092622-A1 Preparation stabilized over long time CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 US disclosed
EP-1260230-A1 PREPARATIONS STABILIZED OVER LONG TIME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-11-27 EP disclosed