SCHEMBL7977336

SCHEMBL7977336

COC(C)(CCCSCCCC(=O)NC(CCCCNCC=N)C(=O)O)OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
HDAC2 Q92769 2/20 0.36
PGGT1B P53609 1/20 0.36
NOD1 Q9Y239 4/20 0.35
SLC6A5 Q9Y345 1/20 0.34
MAPK1 P28482 1/20 0.34
FOLH1 Q04609 4/20 0.33
EPHX2 P34913 1/20 0.32
GLP1R P43220 3/20 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
SCHEMBL7977308 0.78 NOD1 (0.41) FNTAFNTBHDAC2PGGT1BNOD1
SCHEMBL7974823 0.72 ALDH1A1 (0.47)
Hydrochloric Acid SCHEMBL7979896 0.69 FOLH1 (0.39) FOLH1
SCHEMBL7973799 0.67 ALDH1A1 (0.37) FOLH1
SCHEMBL7977282 0.64 TDP1 (0.40)
SCHEMBL7975044 0.63 NOD1 (0.43) FNTAFNTBPGGT1BNOD1FOLH1
SCHEMBL11092611 0.62 NOD1 (0.68) FNTAFNTBHDAC2NOD1SLC6A5
SCHEMBL14554164 0.62 FNTA (0.60) FNTAFNTBPGGT1BNOD1MAPK1
SCHEMBL7974957 0.62 ALDH1A1 (0.36)
SCHEMBL753572 0.62 FNTA (0.60) FNTAFNTBPGGT1BNOD1MAPK1

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