SCHEMBL11018908

SCHEMBL11018908

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)Oc3ccc(C=O)cc3)c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.53
▸ ANPEP P15144 5/20 0.53
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ HPGD P15428 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL11018523 0.88 DPP4 (0.58) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11021317 0.86 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11021850 0.84 DPP4 (0.52) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11018850 0.84 DPP4 (0.51) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11021769 0.83 DPP4 (0.53) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11017139 0.83 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11020184 0.82 ANPEP (0.54) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11020066 0.81 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11020819 0.81 DPP4 (0.50) DPP4ANPEPNR1H2NR1H3HPGD
SCHEMBL11019301 0.81 DPP4 (0.47) DPP4ANPEPNR1H2NR1H3HPGD

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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