SCHEMBL9503983

SCHEMBL9503983

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.51
MMP1 P03956 6/20 0.48
MMP2 P08253 4/20 0.45
KMT2A Q03164 1/20 0.38
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CAPN1 P07384 2/20 0.36
PSMB9 P28065 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL9503972 1.00 MMP3 (0.51) MMP3MMP1MMP2KMT2ACPA1
SCHEMBL9503299 0.89 MMP3 (0.62) MMP3MMP1MMP2CPA1CPA2
SCHEMBL9503311 0.89 MMP3 (0.62) MMP3MMP1MMP2CPA1CPA2
SCHEMBL9503957 0.85 MMP3 (0.52) MMP3MMP1MMP2KMT2A
SCHEMBL9503316 0.83 MMP3 (0.47) MMP3MMP1MMP2CPA1CPA2
SCHEMBL9506995 0.81 MMP3 (0.58) MMP3MMP1MMP2PSMB9
SCHEMBL9503164 0.81 MMP3 (0.58) MMP3MMP1MMP2PSMB9
SCHEMBL9503152 0.80 MMP1 (0.55) MMP3MMP1MMP2
SCHEMBL9503126 0.80 MMP1 (0.55) MMP3MMP1MMP2
SCHEMBL9503950 0.79 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 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