SCHEMBL7977398

SCHEMBL7977398

CC(=N)NCCCCC(N=C(C)CC(C(=O)NC(CCCCNC(C)=N)C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.38
MME P08473 2/20 0.38
C3AR1 Q16581 1/20 0.37
GNPAT O15228 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
ALB P02768 2/20 0.36
MMP1 P03956 1/20 0.35
FCER2 P06734 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
KDM4A O75164 1/20 0.35

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
SCHEMBL7977393 0.77 ALB (0.40) FOLH1ALBFNTAFNTBPGGT1B
SCHEMBL7973775 0.77 ALB (0.40) FOLH1ALBFNTAFNTBPGGT1B
SCHEMBL7975044 0.71 NOD1 (0.43) FOLH1ALBFNTAFNTBPGGT1B
SCHEMBL7963504 0.69 ITGB3 (0.42) FOLH1ALBMMP1
SCHEMBL7963511 0.69 ITGB3 (0.42) FOLH1ALBMMP1
SCHEMBL1983969 0.69 FOLH1 (0.47) FOLH1C3AR1ALB
SCHEMBL12560085 0.69 FOLH1 (0.47) FOLH1C3AR1ALB
SCHEMBL4992532 0.68 C3AR1 (0.60) FOLH1C3AR1ALB
SCHEMBL7699223 0.68 SIRT2 (0.66) FOLH1
SCHEMBL9825139 0.68 MME (0.65) FOLH1MMEMMP1

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