SCHEMBL11018101

SCHEMBL11018101

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)SCc3ccccc3)c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.55
▸ ANPEP P15144 5/20 0.55
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 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
SCHEMBL11018387 0.86 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11020408 0.83 DPP4 (0.58) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11019538 0.83 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL10878219 0.81 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3CTDSP1
Ammonia Solution, Strong SCHEMBL11017800 0.80 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11017885 0.79 DPP4 (0.53) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11017617 0.79 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11017671 0.78 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11023643 0.78 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3CTDSP1
SCHEMBL11023647 0.78 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3CTDSP1

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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