SCHEMBL8740506

SCHEMBL8740506

C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCC(=O)NO)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.56
MMP8 P22894 6/20 0.56
MMP2 P08253 4/20 0.55
FCER2 P06734 4/20 0.52
OPRD1 P41143 1/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
IDE P14735 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL8740516 0.91 MMP9 (0.53) MMP9MMP8MMP2FCER2OPRD1
SCHEMBL8740501 0.86 CTSB (0.53) MMP9MMP8MMP2FCER2OPRD1
SCHEMBL8740489 0.86 MMP9 (0.51) MMP9MMP8MMP2FCER2OPRD1
SCHEMBL8740490 0.85 MMP2 (0.79) MMP9MMP8MMP2FCER2IDE
SCHEMBL13478923 0.85 MMP2 (0.79) MMP9MMP8MMP2FCER2IDE
SCHEMBL13274328 0.85 MMP2 (0.79) MMP9MMP8MMP2FCER2IDE
SCHEMBL12561524 0.85 MMP2 (0.79) MMP9MMP8MMP2FCER2IDE
SCHEMBL1847906 0.85 MMP2 (0.79) MMP9MMP8MMP2FCER2IDE
SCHEMBL29730834 0.85 MMP2 (0.79) MMP9MMP8MMP2FCER2IDE
SCHEMBL29379670 0.85 MMP2 (0.79) MMP9MMP8MMP2FCER2IDE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629285-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-05-13 US disclosed
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 EP disclosed
US-5594106-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-01-14 US disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 EP disclosed
WO-1995006031-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1995-03-02 WO disclosed