SCHEMBL11020730

SCHEMBL11020730

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)OCC(O)CO)c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.54
▸ ANPEP P15144 5/20 0.54
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP2 O95551 3/20 0.39
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ ADRB2 P07550 4/20 0.36
▸ ADRB1 P08588 4/20 0.36
▸ ADRB3 P13945 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 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
SCHEMBL11019207 0.89 DPP4 (0.58) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11018520 0.86 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11018073 0.85 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11021398 0.84 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11021646 0.83 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11017174 0.83 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11020289 0.83 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11020066 0.82 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11021312 0.82 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11018146 0.82 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TP53

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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