Chelidamic Acid

Chelidamic Acid

SCHEMBL794360

O=C([O-])c1cc(O)cc(C(=O)[O-])n1.O=C([O-])c1cc(O)cc(C(=O)[O-])n1.O=C([O-])c1cc(O)cc(C(=O)[O-])n1.[Tb+3].[Tb+3]

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 1/20 0.36
FASN P49327 1/20 0.34
BACE1 P56817 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA5A P35218 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CA4 P22748 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
Zinc Ion SCHEMBL30274317 0.77 ALOX15 (0.37) CA1CA2ALOX15TSHRHIF1A
SCHEMBL31658962 0.75 ALOX15 (0.46) CA1CA2ALOX15TSHRHIF1A
Lithium Ion SCHEMBL28467661 0.75 ALOX15 (0.46) CA1CA2ALOX15TSHRHIF1A
SCHEMBL27763949 0.75 ALOX15 (0.46) CA1CA2ALOX15TSHRHIF1A
Chelidamic Acid SCHEMBL743778 0.74 ALOX15 (0.64) CA1CA2ALOX15TSHRHIF1A
SCHEMBL29254233 0.73 KDM4E (0.36) ALOX15TSHRHIF1AKDM4EACMSD
SCHEMBL30938839 0.73 KDM4E (0.36) ALOX15TSHRHIF1AKDM4EACMSD
SCHEMBL794918 0.73 CA1 (0.44) CA1CA2TSHRKDM4EMEN1
Chelidamic Acid SCHEMBL794359 0.72 ALOX15 (0.61) CA1CA2ALOX15TSHRHIF1A
SCHEMBL5033914 0.72 CA5A (0.50) CA1CA2ALOX15TSHRHIF1A

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-2615938-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2013-07-24 EP disclosed
WO-2012035145-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2012-03-22 WO disclosed