SCHEMBL8892940

SCHEMBL8892940

CC(C)C[C@H](CC(=O)N(CC(=O)NO)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.74
FCER2 P06734 4/20 0.74
MMP9 P14780 11/20 0.61
MMP2 P08253 9/20 0.61
MMP7 P09237 3/20 0.61
MMP12 P39900 2/20 0.61
MMP13 P45452 2/20 0.61
MMP8 P22894 10/20 0.59
MMP3 P08254 2/20 0.59
ERAP2 Q6P179 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
LNPEP Q9UIQ6 2/20 0.52
BIRC2 Q13490 1/20 0.51

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
SCHEMBL27559917 1.00 MMP1 (0.74) MMP1FCER2MMP9MMP2MMP7
SCHEMBL27496760 0.87 MMP1 (0.67) MMP1FCER2MMP9MMP2MMP7
SCHEMBL8772909 0.87 MMP1 (0.67) MMP1FCER2MMP9MMP2MMP7
SCHEMBL7370922 0.83 MMP1 (0.93) MMP1FCER2MMP9MMP2MMP7
SCHEMBL7370918 0.83 MMP1 (0.93) MMP1FCER2MMP9MMP2MMP7
SCHEMBL7370927 0.83 MMP1 (0.93) MMP1FCER2MMP9MMP2MMP7
SCHEMBL7383258 0.80 MMP1 (0.87) MMP1FCER2MMP9MMP2MMP7
SCHEMBL27496411 0.78 FCER2 (0.67) MMP1FCER2MMP9MMP2MMP7
SCHEMBL8772902 0.78 FCER2 (0.67) MMP1FCER2MMP9MMP2MMP7
SCHEMBL8895943 0.76 MMP1 (0.72) MMP1FCER2MMP9MMP2MMP7

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
US-5639746-A INHIBITORS OF METALLOPROTEASE THE PROCTER & GAMBLE COMPANY (US) 1997-06-17 US claimed
US-5639746-A INHIBITORS OF METALLOPROTEASE THE PROCTER & GAMBLE COMPANY (US) 1997-06-17 US disclosed