SCHEMBL8224459

SCHEMBL8224459

CCOC(=O)[C@H](CCCCNC(C)=NO)NC(=O)NCCN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
FOLH1 Q04609 3/20 0.39
PPID Q08752 2/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
CPB2 Q96IY4 2/20 0.35
CPB1 P15086 1/20 0.35
NOD1 Q9Y239 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL7227342 0.86 FOLH1 (0.52) SIRT6SIRT1FOLH1CPB2
SCHEMBL7911445 0.86 FOLH1 (0.52) SIRT6SIRT1FOLH1CPB2
SCHEMBL8201903 0.85 KMT2A (0.49) SIRT6SIRT1KMT2APOLBNOD1
SCHEMBL8193137 0.85 SIRT1 (0.39) SIRT6SIRT1FOLH1KMT2APOLB
SCHEMBL8193831 0.79 CYP1A2 (0.50) KMT2APOLBTSHR
SCHEMBL8201070 0.77 NOD1 (0.39) SIRT6SIRT1KMT2APOLBNOD1
SCHEMBL8193777 0.77 DPP7 (0.43) CPB2NOD1TSHR
SCHEMBL12193061 0.77 EPHX1 (0.56) SIRT6SIRT1FOLH1KMT2ANOD1
SCHEMBL8206011 0.74 DRD1 (0.46) SIRT6SIRT1FOLH1PPID
SCHEMBL7912042 0.73 FOLH1 (0.43) SIRT6SIRT1FOLH1CPB2CPB1

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-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed