SCHEMBL9506869

SCHEMBL9506869

CCOP(=O)(CNC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.56
MMP1 P03956 2/20 0.50
ACE2 Q9BYF1 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CTRB1 P17538 1/20 0.45
MMP2 P08253 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9506857 1.00 MMP3 (0.56) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9503950 0.96 MMP3 (0.51) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9506811 0.96 MMP3 (0.51) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9506080 0.91 MMP3 (0.67) MMP3MMP1ACE2CTRB1MMP2
SCHEMBL9506066 0.91 MMP3 (0.67) MMP3MMP1ACE2CTRB1MMP2
SCHEMBL9503957 0.90 MMP3 (0.52) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9504991 0.87 MMP3 (0.45) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9790866 0.87 MMP3 (0.60) MMP3MMP1ACE2MMP2
SCHEMBL9790846 0.87 MMP3 (0.60) MMP3MMP1ACE2MMP2
SCHEMBL9790886 0.86 MMP3 (0.50) MMP3MMP1ACE2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 EP disclosed
US-5006651-A Rheumatic diseases, bone disorders HOFFMAN-LA ROCHE INC. (US) 1991-04-09 US disclosed
US-4885283-A Phosphinic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1989-12-05 US disclosed
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 EP disclosed