SCHEMBL11020039

SCHEMBL11020039

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)N3CCOCC3)c2C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.57
▸ DPP4 P27487 3/20 0.56
▸ ANPEP P15144 3/20 0.56
▸ HSP90AA1 P07900 2/20 0.46
▸ HSP90AB1 P08238 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11018772 0.84 DPP4 (0.53) TP53DPP4ANPEPGAAKMT2A
SCHEMBL11017870 0.81 DPP4 (0.49) TP53DPP4ANPEPGAAKMT2A
SCHEMBL11017863 0.80 ANPEP (0.48) DPP4ANPEPKMT2AKDM4E
SCHEMBL10878219 0.80 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11017617 0.80 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11019928 0.78 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3
SCHEMBL11017671 0.78 DPP4 (0.67) DPP4ANPEPKMT2ANR1H2NR1H3
SCHEMBL11023647 0.78 DPP4 (0.67) DPP4ANPEPKMT2ANR1H2NR1H3
Ammonia Solution, Strong SCHEMBL11017800 0.78 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL18930366 0.78 HSP90AA1 (0.62) TP53HSP90AA1HSP90AB1GAAKMT2A

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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