SCHEMBL11021557

SCHEMBL11021557

CC(C)c1cc(C(C)C)c(N2C(=O)c3cccc(C(N)=O)c3C2=O)c(C(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.54
▸ ANPEP P15144 5/20 0.54
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ PARP1 P09874 2/20 0.39
▸ TYMS P04818 2/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL11019928 0.90 DPP4 (0.67) DPP4ANPEPKEAP1NFE2L2NR1H2
SCHEMBL11018124 0.89 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11018319 0.88 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11016971 0.86 DPP4 (0.52) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11017664 0.86 ANPEP (0.52) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018644 0.83 DPP4 (0.57) DPP4ANPEPKEAP1NFE2L2NR1H2
SCHEMBL11016509 0.81 DPP4 (0.55) DPP4ANPEPKEAP1NFE2L2NR1H2
SCHEMBL11018380 0.79 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11019613 0.79 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11018036 0.78 DPP4 (0.49) DPP4ANPEPKEAP1NFE2L2NR1H2

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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