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SCHEMBL9504991

SCHEMBL9504991

CCOP(=O)(CNC(=O)[C@H](CCCCN1C(=O)c2ccccc2C1=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 17/20 0.45
▸ MMP1 P03956 4/20 0.44
▸ MMP2 P08253 7/20 0.43
▸ ACE2 Q9BYF1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL9505195 0.92 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9506811 0.91 MMP3 (0.51) MMP3MMP1MMP2ACE2KDM4E
SCHEMBL9503950 0.91 MMP3 (0.51) MMP3MMP1MMP2ACE2KDM4E
SCHEMBL9506857 0.87 MMP3 (0.56) MMP3MMP1MMP2ACE2KDM4E
SCHEMBL9506869 0.87 MMP3 (0.56) MMP3MMP1MMP2ACE2KDM4E
SCHEMBL9506211 0.87 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9506219 0.87 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9503957 0.85 MMP3 (0.52) MMP3MMP1MMP2ACE2KDM4E
SCHEMBL9790846 0.83 MMP3 (0.60) MMP3MMP1MMP2ACE2
SCHEMBL9790866 0.83 MMP3 (0.60) MMP3MMP1MMP2ACE2

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 1 patent. 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