SCHEMBL9306465

SCHEMBL9306465

CCCCCNC(=O)[C@H](CO)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
DPP7 Q9UHL4 2/20 0.49
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
EPHX1 P07099 5/20 0.46
NAAA Q02083 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RRM1 P23921 1/20 0.45
LPAR3 Q9UBY5 4/20 0.45
TLR2 O60603 1/20 0.44
LPAR1 Q92633 2/20 0.44

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
SCHEMBL9306476 1.00 SIRT6 (0.49) SIRT6SIRT1DPP7FNTAFNTB
SCHEMBL4948525 0.98 SIRT6 (0.51) SIRT6SIRT1DPP7FNTAFNTB
SCHEMBL4950657 0.98 SIRT6 (0.51) SIRT6SIRT1DPP7FNTAFNTB
SCHEMBL4949210 0.98 SIRT6 (0.51) SIRT6SIRT1DPP7FNTAFNTB
SCHEMBL506609 0.85 SIRT6 (0.67) SIRT6SIRT1DPP7EPHX1NAAA
SCHEMBL9306622 0.85 SIRT6 (0.48) SIRT6SIRT1DPP7FNTAFNTB
SCHEMBL9306626 0.85 SIRT6 (0.48) SIRT6SIRT1DPP7FNTAFNTB
SCHEMBL506608 0.85 SIRT6 (0.67) SIRT6SIRT1DPP7EPHX1NAAA
SCHEMBL25021992 0.82 LPAR3 (0.65) NAAALPAR3TLR2LPAR1
SCHEMBL19839845 0.82 SIRT6 (0.63) SIRT6SIRT1DPP7FNTAFNTB

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
US-5347007-A Mesylated hydroxymethyl compound treated with alkali metal chloride or quaternary ammonium chloride to form chloromethylamide compound E. R. SQUIBB & SONS, INC. (US) 1994-09-13 US disclosed
US-5260448-A Treating a vinyl bromide containing compound with a metal carbonate cyclizing agent E. R. SQUIBB & SONS, INC. (US) 1993-11-09 US disclosed