SCHEMBL9505796

SCHEMBL9505796

NC(=O)CC(NCCNCCNCC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
GGT1 P19440 1/20 0.33
FOLH1 Q04609 1/20 0.32
RIMKLA Q8IXN7 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 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
SCHEMBL23248621 0.87 CA2 (0.37) CA2GGT1FOLH1RIMKLANAALAD2
SCHEMBL8935945 0.87 CA2 (0.37) CA2GGT1FOLH1RIMKLANAALAD2
SCHEMBL5015012 0.85 CA2 (0.38) CA2GGT1FOLH1RIMKLANAALAD2
SCHEMBL28526718 0.84 GGT1 (0.45) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL28526723 0.84 GGT1 (0.45) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL2514366 0.81 ECE1 (0.42) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL8675912 0.81 ECE1 (0.42) ECE1MEN1KMT2AITGB2ICAM1
SCHEMBL6947256 0.80 USP2 (0.34) CA2CA1ALDH1A1FOLH1RIMKLA
SCHEMBL3937150 0.79 CA2 (0.41) CA2GGT1FOLH1RIMKLANAALAD2
SCHEMBL31435019 0.79 CA2 (0.41) CA2GGT1FOLH1RIMKLANAALAD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436579-B1 CHELATE COMPOSITIONS NYCOMED SALUTAR, INC. (US) 1993-08-04 EP claimed
WO-1990003804-A1 CHELATE COMPOSITIONS SALUTAR, INC. (US) 1990-04-19 WO claimed