SCHEMBL11019052

SCHEMBL11019052

C=CCc1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)O)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.51
▸ ANPEP P15144 5/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ TYMS P04818 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 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
SCHEMBL11018280 0.88 DPP4 (0.56) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL11017713 0.87 DPP4 (0.48) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL11019037 0.87 DPP4 (0.56) DPP4ANPEPCTDSP1TYMSGAA
SCHEMBL11017190 0.86 DPP4 (0.46) DPP4ANPEPCTDSP1TYMSGAA
SCHEMBL10878219 0.85 DPP4 (0.68) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL11018528 0.85 DPP4 (0.53) DPP4ANPEPCTDSP1NR1H2NR1H3
Ammonia Solution, Strong SCHEMBL11017800 0.84 DPP4 (0.67) DPP4ANPEPCTDSP1NR1H2NR1H3
SCHEMBL11017039 0.84 DPP4 (0.47) DPP4ANPEPCTDSP1TYMSGAA
SCHEMBL11018284 0.82 DPP4 (0.48) DPP4ANPEPNR1H2NR1H3LMNA
SCHEMBL11017365 0.82 CTDSP1 (0.43) DPP4ANPEPCTDSP1TYMSGAA

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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