SCHEMBL7980257

SCHEMBL7980257

CNC(=O)[C@H](CCCCN)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
FOLH1 Q04609 1/20 0.42
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
GSR P00390 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
MMP9 P14780 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CPB2 Q96IY4 2/20 0.36
TLR2 O60603 1/20 0.36
PAOX Q6QHF9 2/20 0.35

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
SCHEMBL12264542 1.00 SIRT6 (0.43) SIRT6SIRT1FOLH1MMP1MMP3
SCHEMBL25556371 0.94 MMP1 (0.40) SIRT6SIRT1FOLH1MMP1MMP3
SCHEMBL26630660 0.86 SIRT6 (0.42) SIRT6SIRT1FOLH1MMP1MMP3
SCHEMBL14414403 0.86 MMP1 (0.43) SIRT6SIRT1FOLH1MMP1MMP3
SCHEMBL21944205 0.86 SIRT6 (0.47) SIRT6SIRT1FOLH1MMP1MMP3
SCHEMBL20366275 0.85 GABRR1 (0.38) MMP1MMP3DPP8DPP9DPP7
SCHEMBL10442144 0.85 GABRR1 (0.38) MMP1MMP3DPP8DPP9DPP7
SCHEMBL20705272 0.83 SIRT6 (0.47) SIRT6SIRT1FOLH1MMP1MMP3
SCHEMBL13555546 0.83 SIRT6 (0.40) SIRT6SIRT1FOLH1MMP1MMP3
SCHEMBL13331678 0.83 SIRT6 (0.61) SIRT6SIRT1FOLH1MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3076175-A1 DETECTION AND QUANTIFICATION OF O-ACETYL-ADP-RIBOSE AS A READOUT SYSTEM FOR MEASURING THE ACTIVITY OF E.G. SIRTUINS Boehringer Ingelheim International GmbH (DE) 2016-10-05 EP disclosed
WO-2011161545-A2 NON-HYDROLYZABLE PROTEIN CONJUGATES, METHODS AND COMPOSITIONS RELATED THERETO THE NETHERLANDS CANCER INSTITUTE (NL) 2011-12-29 WO disclosed
US-6281352-B1 ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-08-28 US disclosed