SCHEMBL11017885

SCHEMBL11017885

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NCCc3ccccc3)c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.53
▸ ANPEP P15144 2/20 0.53
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ KCNA5 P22460 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL11022122 0.87 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018535 0.87 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018631 0.86 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018669 0.86 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11021879 0.86 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11021927 0.85 DPP4 (0.55) DPP4ANPEPNPC1NR1H2NR1H3
SCHEMBL11020754 0.85 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11019064 0.85 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11016780 0.84 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11018040 0.84 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3POLB

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