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Sugi Predict / Compounds / SCHEMBL9506211

SCHEMBL9506211

SCHEMBL9506211

CCOP(=O)(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN1C(=O)c2ccccc2C1=O)NC(=O)OCc1ccccc1)CC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 17/20 0.53
▸ MMP1 P03956 3/20 0.49
▸ MMP2 P08253 5/20 0.48

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
SCHEMBL9506219 1.00 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9790672 0.92 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL9790680 0.92 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL9505079 0.91 MMP3 (0.62) MMP3MMP1MMP2
SCHEMBL9505069 0.91 MMP3 (0.62) MMP3MMP1MMP2
SCHEMBL9504991 0.87 MMP3 (0.45) MMP3MMP1MMP2
SCHEMBL27281835 0.78 CTSL (0.52) —
SCHEMBL9505195 0.78 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9506811 0.75 MMP3 (0.51) MMP3MMP1MMP2
SCHEMBL9503950 0.75 MMP3 (0.51) MMP3MMP1MMP2

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