SCHEMBL6892901

SCHEMBL6892901

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.43
TGFBR1 P36897 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
GNPAT O15228 1/20 0.37

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
SCHEMBL2487178 1.00 ECE1 (0.43) ECE1TGFBR1MEN1KMT2ACA2
SCHEMBL8601335 0.93 ECE1 (0.47) ECE1TGFBR1MEN1KMT2ACA2
Hydroxyamine SCHEMBL631500 0.88 CA2 (0.45) TGFBR1CA2CA4CA1TDP1
SCHEMBL2916092 0.88 CA2 (0.48) TGFBR1CA2CA4TDP1SMN1; SMN2
SCHEMBL1457564 0.88 CA2 (0.48) TGFBR1CA2CA4TDP1SMN1; SMN2
SCHEMBL22019 0.88 CA2 (0.48) TGFBR1CA2CA4TDP1SMN1; SMN2
SCHEMBL2910640 0.88 CA2 (0.48) TGFBR1CA2CA4TDP1SMN1; SMN2
SCHEMBL10011958 0.86 ECE1 (0.43) ECE1TGFBR1MEN1KMT2ACA2
SCHEMBL27447823 0.86 ECE1 (0.43) ECE1TGFBR1MEN1KMT2ACA2
SCHEMBL9246584 0.86 ECE1 (0.43) ECE1TGFBR1MEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411037-B1 Process for obtaining plant micronutrients LANXESS DEUTSCHLAND GMBH (DE) 2011-12-14 EP claimed
EP-1411037-A1 Chelated plant micronutrients Bayer Chemicals AG (DE) 2004-04-21 EP claimed
EP-1411037-B1 Process for obtaining plant micronutrients LANXESS DEUTSCHLAND GMBH (DE) 2011-12-14 EP disclosed
EP-1411037-A1 Chelated plant micronutrients Bayer Chemicals AG (DE) 2004-04-21 EP disclosed
EP-1411037-A1 Chelated plant micronutrients Bayer Chemicals AG (DE) 2004-04-21 EP disclosed