SCHEMBL11022122

SCHEMBL11022122

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.57
▸ ANPEP P15144 5/20 0.57
▸ HTT P42858 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ PDCD1 Q15116 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ KEAP1 Q14145 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TYMS P04818 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
SCHEMBL11018631 0.94 DPP4 (0.56) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11018336 0.94 DPP4 (0.50) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11018535 0.91 DPP4 (0.57) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11019064 0.91 DPP4 (0.60) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11018669 0.90 DPP4 (0.56) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11021879 0.90 DPP4 (0.61) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11021927 0.89 DPP4 (0.55) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11018446 0.88 DPP4 (0.52) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11018040 0.88 DPP4 (0.54) DPP4ANPEPHTTALDH1A1NR1H2
SCHEMBL11016780 0.88 DPP4 (0.54) DPP4ANPEPHTTALDH1A1NR1H2

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