Nitrilotriacetic Acid

Nitrilotriacetic Acid

SCHEMBL987118

CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.O=C(O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
NFKB1 P19838 1/20 0.33
ALOX15 P16050 2/20 0.31
MAOB P27338 2/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
HIF1A Q16665 1/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
ATM Q13315 1/20 0.30

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
Edetic Acid SCHEMBL986797 0.94 TDP1 (0.40) ALDH1A1HDAC4HDAC6TSHRCYP2C19
Pentetic Acid SCHEMBL986427 0.93 TDP1 (0.42) ALDH1A1HDAC4HDAC6TSHRCYP2C19
Nitrilotriacetic Acid SCHEMBL987466 0.88 GAA (0.42) ALDH1A1TSHRCYP2C19ALOX15MAOB
SCHEMBL8613134 0.85 HDAC4 (0.39) ALDH1A1HDAC4HDAC6TSHRCYP2C19
Edetic Acid SCHEMBL1232066 0.82 KDM4E (0.40) TSHRCYP2C19ALOX15MAOBKDM4E
Edetic Acid SCHEMBL1233036 0.82 KDM4E (0.40) TSHRCYP2C19ALOX15MAOBKDM4E
Edetic Acid SCHEMBL15163476 0.82 KDM4E (0.40) TSHRCYP2C19ALOX15MAOBKDM4E
Edetic Acid SCHEMBL986952 0.82 KDM4E (0.40) TSHRCYP2C19ALOX15MAOBKDM4E
Edetic Acid SCHEMBL2831275 0.82 KDM4E (0.40) TSHRCYP2C19ALOX15MAOBKDM4E
Pentetic Acid SCHEMBL987211 0.81 KDM4E (0.42) TSHRCYP2C19ALOX15KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO claimed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US disclosed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US disclosed