SCHEMBL7973789

SCHEMBL7973789

CC(Cc1cccc(CC(=O)NC(CCCCNCC=N)C(=O)O)c1)=NC(CCCCNCC=N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.41
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 2/20 0.37
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CNR2 P34972 1/20 0.34
ALB P02768 2/20 0.34
TGM2 P21980 2/20 0.34
NOD1 Q9Y239 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRND Q07001 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL7973780 1.00 FOLH1 (0.41) FOLH1FNTAFNTBPGGT1BITGB3
SCHEMBL7973775 0.86 ALB (0.40) FOLH1FNTAFNTBPGGT1BITGB3
SCHEMBL7977393 0.86 ALB (0.40) FOLH1FNTAFNTBPGGT1BITGB3
SCHEMBL7974901 0.82 EPHX2 (0.32) ITGB3ITGB1ITGA4CNR2TGM2
SCHEMBL7963511 0.78 ITGB3 (0.42) FOLH1ITGB3ALBTGM2
SCHEMBL7963504 0.78 ITGB3 (0.42) FOLH1ITGB3ALBTGM2
SCHEMBL7977308 0.76 NOD1 (0.41) FOLH1FNTAFNTBPGGT1BALB
SCHEMBL7979838 0.73 ALDH1A1 (0.34) FOLH1FNTAFNTBITGB3ALB
SCHEMBL8058832 0.70 FOLH1 (0.57) FOLH1ITGB3ITGAVTGM2
Hydrochloric Acid SCHEMBL7979896 0.67 FOLH1 (0.39) FOLH1

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