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Sugi Predict / Compounds / SCHEMBL9506066

SCHEMBL9506066

SCHEMBL9506066

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 12/20 0.67
▸ MMP1 P03956 4/20 0.54
▸ ACE2 Q9BYF1 1/20 0.51
▸ MMP2 P08253 3/20 0.51
▸ CTRB1 P17538 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
SCHEMBL9506080 1.00 MMP3 (0.67) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9790846 0.96 MMP3 (0.60) MMP3MMP1ACE2MMP2
SCHEMBL9790866 0.96 MMP3 (0.60) MMP3MMP1ACE2MMP2
SCHEMBL9506869 0.91 MMP3 (0.56) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9506857 0.91 MMP3 (0.56) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9503957 0.89 MMP3 (0.52) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL10594133 0.87 MMP3 (0.61) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL10594145 0.87 MMP3 (0.61) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9506164 0.87 MMP3 (0.61) MMP3MMP1ACE2MMP2CTRB1
SCHEMBL9506205 0.87 MMP3 (0.61) 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 3 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