Diatrizoic Acid

Diatrizoic Acid

SCHEMBL8859575

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
AKR1B1 P15121 1/20 0.40
TSHR P16473 5/20 0.39
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
PTPN1 P18031 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
MEN1 O00255 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
ESR1 P03372 1/20 0.39

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
Diatrizoic Acid SCHEMBL9052480 1.00 LMNA (0.55) LMNASMN1; SMN2AKR1B1TSHRMAPK1
Diatrizoic Acid SCHEMBL17201714 0.85 LMNA (0.55) LMNASMN1; SMN2TSHRMAPK1
Diatrizoic Acid SCHEMBL7615048 0.83 LMNA (0.67) LMNASMN1; SMN2TSHRMAPK1KMT2A
Diatrizoic Acid SCHEMBL8508 0.83 LMNA (0.67) LMNASMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL11632162 0.83 LMNA (0.56) LMNASMN1; SMN2TSHRMAPK1KMT2A
Diatrizoic Acid SCHEMBL8053758 0.82 LMNA (0.65) LMNASMN1; SMN2TSHRMAPK1KMT2A
Diatrizoic Acid SCHEMBL8509 0.82 LMNA (0.65) LMNASMN1; SMN2TSHRMAPK1KMT2A
Diatrizoic Acid SCHEMBL1197801 0.82 LMNA (0.65) LMNASMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL11630993 0.81 TSHR (0.52) AKR1B1TSHRMAPK1GPR84PPARG
Diatrizoic Acid SCHEMBL8565476 0.80 LMNA (0.59) LMNASMN1; SMN2TSHRMAPK1KMT2A

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-1997039759-A2 OMEGA-3 FATTY ACIDS AND OMEGA-3 PHOSPHATIDYLCHOLINE IN THE TREATMENT OF BIPOLAR DISORDER BRIGHAM AND WOMEN'S HOSPITAL (US) 1997-10-30 WO disclosed