SCHEMBL7433137

SCHEMBL7433137

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1Cc2ccccc2C1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.52
MMP2 P08253 2/20 0.52
PSMB5 P28074 5/20 0.49
PSMB1 P20618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MME P08473 2/20 0.48
SDCBP O00560 1/20 0.47
SDC2 P34741 1/20 0.47
REN P00797 2/20 0.46

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
SCHEMBL26644364 0.78 PSMB5 (0.61) MMP2PSMB5MME
SCHEMBL7403300 0.78 MMP1 (0.60) MMP3MMP2PSMB5
SCHEMBL15692320 0.76 PSMB5 (0.73) MMP2PSMB5MME
SCHEMBL10734396 0.76 MME (0.63) MMP2PSMB5MME
SCHEMBL7402160 0.75 MMP3 (0.60) MMP3MMP2PSMB5
SCHEMBL6419209 0.75 MMP3 (0.86) MMP3MMP2
SCHEMBL7397757 0.75 MMP3 (0.61) MMP3MMP2PSMB5NPSR1
SCHEMBL9830825 0.74 MME (0.66) MMP3MMP2PSMB5MME
SCHEMBL9830820 0.74 MME (0.66) MMP3MMP2PSMB5MME
SCHEMBL7397714 0.74 MMP1 (0.55) MMP3MMP2PSMB5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed