SCHEMBL11021398

SCHEMBL11021398

CCCOC(=O)c1cccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.57
▸ ANPEP P15144 5/20 0.57
▸ ALDH1A1 P00352 4/20 0.46
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL11018885 0.94 DPP4 (0.53) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11018146 0.93 DPP4 (0.55) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11021121 0.92 DPP4 (0.54) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11017992 0.91 ANPEP (0.53) DPP4ANPEPALDH1A1MAPK1KDM4E
SCHEMBL11018985 0.91 ANPEP (0.53) DPP4ANPEPALDH1A1MAPK1KDM4E
SCHEMBL11017913 0.91 ANPEP (0.53) DPP4ANPEPALDH1A1MAPK1KDM4E
SCHEMBL11018404 0.91 ANPEP (0.53) DPP4ANPEPALDH1A1MAPK1KDM4E
SCHEMBL11016536 0.91 ANPEP (0.53) DPP4ANPEPALDH1A1MAPK1KDM4E
SCHEMBL11017985 0.91 ANPEP (0.53) DPP4ANPEPALDH1A1MAPK1KDM4E
SCHEMBL11022082 0.91 ANPEP (0.53) DPP4ANPEPALDH1A1MAPK1KDM4E

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