SCHEMBL9790705

SCHEMBL9790705

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.50
MMP1 P03956 2/20 0.50
ACE2 Q9BYF1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CTRB1 P17538 1/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
REN P00797 1/20 0.45
MMP2 P08253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL9790877 1.00 MMP3 (0.50) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9790714 1.00 MMP3 (0.50) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9790886 1.00 MMP3 (0.50) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL10594145 0.90 MMP3 (0.61) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9506164 0.90 MMP3 (0.61) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL10594133 0.90 MMP3 (0.61) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9506205 0.90 MMP3 (0.61) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9506811 0.88 MMP3 (0.51) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9503950 0.88 MMP3 (0.51) MMP3MMP1ACE2KDM4ELMNA
SCHEMBL9790846 0.86 MMP3 (0.60) MMP3MMP1ACE2MMP2

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-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