SCHEMBL11017713

SCHEMBL11017713

C=CCc1c(C(C)C)ccc(C(C)C)c1N1C(=O)c2cccc(C(=O)O)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.48
▸ ANPEP P15144 5/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ TYMS P04818 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL11017007 0.91 DPP4 (0.47) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL11017983 0.89 DPP4 (0.46) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11018701 0.89 DPP4 (0.46) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11019052 0.87 DPP4 (0.51) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL11022218 0.85 DPP4 (0.50) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL10878219 0.83 DPP4 (0.68) DPP4ANPEPCTDSP1NR1H2NR1H3
Ammonia Solution, Strong SCHEMBL11017800 0.81 DPP4 (0.67) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL11018483 0.81 TYMS (0.43) DPP4ANPEPCTDSP1TYMSGAA
SCHEMBL11021513 0.81 DPP4 (0.48) DPP4ANPEPCTDSP1TYMSGAA
SCHEMBL11018707 0.79 ANPEP (0.39) DPP4ANPEP

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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