SCHEMBL11019157

SCHEMBL11019157

CCCCOC(=O)CCc1cccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.51
▸ ANPEP P15144 5/20 0.51
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL11018125 0.96 ANPEP (0.49) DPP4ANPEP
SCHEMBL11021774 0.94 DPP4 (0.53) DPP4ANPEPNR1H2NR1H3KDM4E
SCHEMBL11018821 0.90 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11020916 0.86 DPP4 (0.51) DPP4ANPEPNR1H2NR1H3
SCHEMBL11022054 0.85 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11023185 0.83 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11020557 0.82 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3ALOX15
SCHEMBL11017151 0.81 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3ALOX15
SCHEMBL11018146 0.81 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3KDM4E
SCHEMBL11019269 0.81 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3ALOX15

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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