SCHEMBL11018701

SCHEMBL11018701

C=CCc1c(C(C)C)ccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NC)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.46
▸ ANPEP P15144 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TYMS P04818 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL11017713 0.89 DPP4 (0.48) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11017983 0.88 DPP4 (0.46) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11017007 0.88 DPP4 (0.47) DPP4ANPEPNR1H2NR1H3
SCHEMBL11019024 0.86 DPP4 (0.47) DPP4ANPEPALDH1A1HSD17B10NR1H2
SCHEMBL11021461 0.84 DPP4 (0.64) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11019199 0.82 DPP4 (0.41) DPP4ANPEPALDH1A1KDM4EHSD17B10
SCHEMBL11018629 0.80 DPP4 (0.53) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11016792 0.80 DPP4 (0.55) DPP4ANPEPALDH1A1NR1H2NR1H3
SCHEMBL11018003 0.79 DPP4 (0.53) DPP4ANPEPALDH1A1KDM4EHSD17B10
SCHEMBL11021889 0.79 DPP4 (0.55) DPP4ANPEPALDH1A1KDM4ENR1H2

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