SCHEMBL11019003

SCHEMBL11019003

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

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.68
▸ ANPEP P15144 7/20 0.68
▸ NR1H2 P55055 1/20 0.52
▸ NR1H3 Q13133 1/20 0.52
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11018476 0.93 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3GABRA1
SCHEMBL11017462 0.92 DPP4 (0.59) DPP4ANPEPNR1H2NR1H3
SCHEMBL11020332 0.89 DPP4 (0.65) DPP4ANPEPNR1H2NR1H3GABRA1
SCHEMBL11016750 0.87 DPP4 (0.66) DPP4ANPEPNR1H2NR1H3
SCHEMBL11020270 0.86 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018462 0.86 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3
SCHEMBL11017134 0.86 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3
SCHEMBL11021686 0.85 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11018921 0.84 DPP4 (0.62) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11020337 0.84 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3

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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