SCHEMBL11019024

SCHEMBL11019024

CCCc1c(C(C)C)ccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NC)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.47
▸ ANPEP P15144 5/20 0.47
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK10 P53779 1/20 0.31

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
SCHEMBL11022218 0.88 DPP4 (0.50) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11020926 0.88 DPP4 (0.47) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018036 0.87 DPP4 (0.49) DPP4ANPEPNR1H2NR1H3ALOX15
SCHEMBL11018222 0.87 DPP4 (0.49) DPP4ANPEPNR1H2NR1H3ALOX15
SCHEMBL11018701 0.86 DPP4 (0.46) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11021461 0.85 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11018629 0.84 DPP4 (0.53) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11020093 0.82 DPP4 (0.42) DPP4ANPEPALDH1A1ALOX15MAPK1
SCHEMBL11016792 0.81 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11021879 0.81 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3ALDH1A1

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
Send feedback