SCHEMBL8345863

SCHEMBL8345863

CCN1CCC[C@@]1(C(N)=O)N(C(CC(C)C)C(=O)NC(CCCCN)C(=O)O)[C@H](CCN1C(=O)c2cccc3cccc(c23)C1=O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.33
MMP9 P14780 11/20 0.33
MMP3 P08254 8/20 0.33
HEXA P06865 2/20 0.33
HEXB P07686 2/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
OPRK1 P41145 2/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
NTSR2 O95665 1/20 0.31
NTSR1 P30989 1/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL6412870 0.82 MMP1 (0.37) MMP1MMP9MMP3HEXAHEXB
Hydrochloric Acid SCHEMBL9348337 0.81 MMP1 (0.36) MMP1MMP9MMP3HEXAHEXB
SCHEMBL6415510 0.72 MMP1 (0.41) MMP1MMP9MMP3HEXAHEXB
Hydrochloric Acid SCHEMBL7327477 0.72 MMP1 (0.40) MMP1MMP9MMP3HEXAHEXB
SCHEMBL7322837 0.70 MMP1 (0.35) MMP1MMP9MMP3
SCHEMBL6414226 0.70 MMP1 (0.49) MMP1MMP9MMP3HEXAHEXB
SCHEMBL6418519 0.69 MMP1 (0.44) MMP1MMP9MMP3HEXAHEXB
Hydrochloric Acid SCHEMBL7328354 0.68 MMP1 (0.44) MMP1MMP9MMP3HEXAHEXB
Hydrochloric Acid SCHEMBL9352690 0.64 MMP1 (0.36) MMP1MMP9MMP3LMNA
SCHEMBL7329953 0.61 MMP1 (0.50) MMP1MMP9MMP3

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-5948780-A ADMINISTERING A METALLOPROTEINASE INHIBITOR WARNER-LAMBERT COMPANY (US) 1999-09-07 US disclosed