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Sugi Predict / Compounds / SCHEMBL7400918

SCHEMBL7400918

SCHEMBL7400918

CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)CCCCN1Cc2ccccc2C1=O)C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 20/20 1.00
▸ MMP2 P08253 10/20 1.00

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
SCHEMBL6419209 0.93 MMP3 (0.86) MMP3MMP2
SCHEMBL7394747 0.91 MMP3 (0.83) MMP3MMP2
SCHEMBL7396919 0.88 MMP3 (1.00) MMP3MMP2
SCHEMBL7397400 0.86 MMP3 (0.75) MMP3MMP2
SCHEMBL6420233 0.80 MMP3 (0.85) MMP3MMP2
SCHEMBL6413205 0.78 MMP3 (0.64) MMP3MMP2
SCHEMBL7396892 0.78 MMP3 (0.65) MMP3MMP2
SCHEMBL7404150 0.78 MMP3 (0.81) MMP3MMP2
SCHEMBL6419219 0.77 MMP3 (0.62) MMP3MMP2
SCHEMBL7399502 0.76 MMP3 (1.00) MMP3MMP2

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
US-5679700-A STROMELYSIN INHIBITOR MERCK & CO., INC. (US) 1997-10-21 — — US claimed
US-5679700-A STROMELYSIN INHIBITOR MERCK & CO., INC. (US) 1997-10-21 — — US disclosed
EP-0623143-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO. INC. (US) 1994-11-09 — — EP disclosed
WO-1993014112-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-07-22 — — WO disclosed