SCHEMBL7977393

SCHEMBL7977393

CC(=N)NCCCCC(N=C(C)Cc1cccc(CC(=O)NC(CCCCNC(C)=N)C(=O)O)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.40
FOLH1 Q04609 6/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 2/20 0.38
TGM2 P21980 6/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRND Q07001 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
F13A1 P00488 1/20 0.36
TGM1 P22735 1/20 0.36

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
SCHEMBL7973775 1.00 ALB (0.40) ALBFOLH1FNTAFNTBPGGT1B
SCHEMBL7963504 0.91 ITGB3 (0.42) ALBFOLH1TGM2ITGB3F13A1
SCHEMBL7963511 0.91 ITGB3 (0.42) ALBFOLH1TGM2ITGB3F13A1
SCHEMBL7973789 0.86 FOLH1 (0.41) ALBFOLH1FNTAFNTBPGGT1B
SCHEMBL7973780 0.86 FOLH1 (0.41) ALBFOLH1FNTAFNTBPGGT1B
SCHEMBL7977398 0.77 FOLH1 (0.38) ALBFOLH1FNTAFNTBPGGT1B
SCHEMBL7975044 0.75 NOD1 (0.43) ALBFOLH1FNTAFNTBPGGT1B
SCHEMBL7699223 0.70 SIRT2 (0.66) FOLH1TGM2SIRT2SIRT1ITGB3
SCHEMBL7963519 0.70 NPSR1 (0.41)
SCHEMBL10277213 0.69 C3AR1 (0.53) CHRNA1CHRNGCHRNB1CHRNDITGB3

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