SCHEMBL6135582

SCHEMBL6135582

CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.46
MMP3 P08254 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDF Q9HBH1 2/20 0.44
BMP1 P13497 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7529199 0.95 MMP2 (0.49) MMP2MMP3BMP1
SCHEMBL13333341 0.90 KMT2A (0.42) MMP2MMP3KMT2APDFALDH1A1
SCHEMBL13333322 0.89 MMP2 (0.47) MMP2MMP3MEN1KMT2APDF
SCHEMBL5497357 0.87 MMP2 (0.44) MMP2MMP3PDFBMP1
SCHEMBL5497359 0.87 MMP2 (0.44) MMP2MMP3PDFBMP1
SCHEMBL14282177 0.87 MEN1 (0.46) MMP2MMP3MEN1KMT2APDF
SCHEMBL13333271 0.86 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13333286 0.86 KMT2A (0.46) MMP2MMP3MEN1KMT2APDF
SCHEMBL6135733 0.85 MMP2 (0.44) MMP2MMP3PDFBMP1
SCHEMBL6758740 0.85 MAPT (0.42) MMP2MMP3PDFBMP1TSHR

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-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP claimed