SCHEMBL7977308

SCHEMBL7977308

CC(CCCSCCCC(=O)NC(CCCCNCC=N)C(=O)O)=NC(CCCCNCC=N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.41
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
SLC6A5 Q9Y345 2/20 0.34
PGGT1B P53609 1/20 0.34
FOLH1 Q04609 4/20 0.33
EPHX2 P34913 1/20 0.32
HDAC2 Q92769 1/20 0.32
ALB P02768 2/20 0.32

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
SCHEMBL7979838 0.89 ALDH1A1 (0.34) NOD1FNTAFNTBFOLH1ALB
SCHEMBL7975044 0.85 NOD1 (0.43) NOD1FNTAFNTBPGGT1BFOLH1
SCHEMBL7977336 0.78 FNTA (0.40) NOD1FNTAFNTBSLC6A5PGGT1B
SCHEMBL7973789 0.76 FOLH1 (0.41) NOD1FNTAFNTBPGGT1BFOLH1
SCHEMBL7973780 0.76 FOLH1 (0.41) NOD1FNTAFNTBPGGT1BFOLH1
Hydrochloric Acid SCHEMBL7979896 0.69 FOLH1 (0.39) FOLH1
SCHEMBL7974823 0.65 ALDH1A1 (0.47)
SCHEMBL13988451 0.61 NOD1 (0.54) NOD1FNTAFNTBSLC6A5PGGT1B
SCHEMBL8821883 0.61 FOLH1 (0.38) FNTAFNTBFOLH1
SCHEMBL14063706 0.60 FNTA (0.57) NOD1FNTAFNTBPGGT1BFOLH1

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
WO-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed