SCHEMBL9506164

SCHEMBL9506164

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.61
MMP1 P03956 3/20 0.61
ACE2 Q9BYF1 1/20 0.53
CPA1 P15085 1/20 0.51
CPA2 P48052 1/20 0.51
CPA4 Q9UI42 1/20 0.51
MMP2 P08253 3/20 0.49
CTRB1 P17538 1/20 0.49
REN P00797 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL9506205 1.00 MMP3 (0.61) MMP3MMP1ACE2CPA1CPA2
SCHEMBL10594133 1.00 MMP3 (0.61) MMP3MMP1ACE2CPA1CPA2
SCHEMBL10594145 1.00 MMP3 (0.61) MMP3MMP1ACE2CPA1CPA2
SCHEMBL9790705 0.90 MMP3 (0.50) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9790714 0.90 MMP3 (0.50) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9790886 0.90 MMP3 (0.50) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9790877 0.90 MMP3 (0.50) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9790846 0.90 MMP3 (0.60) MMP3MMP1ACE2MMP2
SCHEMBL9790866 0.90 MMP3 (0.60) MMP3MMP1ACE2MMP2
SCHEMBL9503957 0.87 MMP3 (0.52) MMP3MMP1ACE2MMP2CTRB1

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