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SCHEMBL11018241

SCHEMBL11018241

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)[O-])c2C1=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)[O-])c2C1=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)[O-])c2C1=O.[Fe+3]

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.65
▸ ANPEP P15144 6/20 0.65
▸ NR1H2 P55055 1/20 0.50
▸ NR1H3 Q13133 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ TYMS P04818 1/20 0.35
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL11016351 0.97 DPP4 (0.65) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11016732 0.97 DPP4 (0.65) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11019857 0.97 DPP4 (0.65) DPP4ANPEPNR1H2NR1H3CTDSP1
Tetrabuthylammonium SCHEMBL11018749 0.87 DPP4 (0.53) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL10878219 0.86 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11017617 0.86 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11021461 0.86 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11017926 0.86 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11017671 0.85 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11023647 0.85 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3CTDSP1

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
EP-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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