SCHEMBL11018110

SCHEMBL11018110

CCN(CCO)C(=O)c1cccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.54
▸ ANPEP P15144 5/20 0.54
▸ KEAP1 Q14145 1/20 0.46
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ TRPV1 Q8NER1 7/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL11018546 0.95 DPP4 (0.57) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11021915 0.87 DPP4 (0.56) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11019233 0.82 DPP4 (0.55) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11021933 0.82 DPP4 (0.55) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11018662 0.80 DPP4 (0.58) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11018282 0.80 DPP4 (0.61) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11020758 0.79 DPP4 (0.60) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11018518 0.78 DPP4 (0.56) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL11020637 0.78 DPP4 (0.58) DPP4ANPEPKEAP1NR1H2NR1H3
SCHEMBL10878219 0.78 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3MAPT

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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