SCHEMBL11016343

SCHEMBL11016343

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)Oc3ccccc3Cl)c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.54
▸ ANPEP P15144 4/20 0.54
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ PTK2B Q14289 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ TDP2 O95551 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 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
SCHEMBL11018019 0.88 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3ESR1
SCHEMBL11017723 0.88 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3ESR1
SCHEMBL11020351 0.87 ANPEP (0.51) DPP4ANPEPNR1H2NR1H3ESR1
SCHEMBL11018523 0.84 DPP4 (0.58) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11019792 0.84 ANPEP (0.46) DPP4ANPEPNR1H2NR1H3NPSR1
SCHEMBL11018284 0.82 DPP4 (0.48) DPP4ANPEPNR1H2NR1H3ELANE
SCHEMBL11020066 0.82 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3PTK2B
SCHEMBL11020819 0.82 DPP4 (0.50) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11019951 0.81 DPP4 (0.52) DPP4ANPEPNR1H2NR1H3NPSR1
SCHEMBL11017998 0.81 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3HPGD

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
Send feedback