SCHEMBL11022641

SCHEMBL11022641

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(O)C[N+](=O)[O-])c2C1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.60
▸ ANPEP P15144 6/20 0.60
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11018381 0.85 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018214 0.81 DPP4 (0.74) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018268 0.81 DPP4 (0.62) DPP4ANPEPNR1H2NR1H3LMNA
SCHEMBL11022642 0.79 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3LMNA
SCHEMBL9812676 0.79 DPP4 (0.63) DPP4ANPEPNR1H2NR1H3LMNA
SCHEMBL11019003 0.75 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018078 0.74 DPP4 (0.71) DPP4ANPEPNR1H2NR1H3
SCHEMBL11016604 0.74 DPP4 (0.71) DPP4ANPEPNR1H2NR1H3
SCHEMBL11016750 0.73 DPP4 (0.66) DPP4ANPEPNR1H2NR1H3
SCHEMBL11019616 0.73 DPP4 (0.66) DPP4ANPEPNR1H2NR1H3ALDH1A1

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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