SCHEMBL11021325

SCHEMBL11021325

CCc1cccc(CC)c1N1C(=O)c2cccc(C(=O)OCCCc3ccccc3)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.51
▸ DPP4 P27487 2/20 0.51
▸ SCN1A P35498 3/20 0.47
▸ SCN2A Q99250 3/20 0.47
▸ SCN3A Q9NY46 3/20 0.47
▸ TSHR P16473 5/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL11020778 0.83 DPP4 (0.61) ANPEPDPP4TSHRCYP3A4MAPK1
SCHEMBL11022176 0.80 DPP4 (0.63) ANPEPDPP4TSHRL3MBTL1MAPK1
SCHEMBL11022146 0.78 DPP4 (0.68) ANPEPDPP4TDP1L3MBTL1MAPK1
SCHEMBL11018541 0.76 ANPEP (0.55) ANPEPDPP4TSHRL3MBTL1ALDH1A1
SCHEMBL11019263 0.75 DPP4 (0.60) ANPEPDPP4TDP1L3MBTL1MAPK1
SCHEMBL11017426 0.75 DPP4 (0.66) ANPEPDPP4LMNA
SCHEMBL11020051 0.75 DPP4 (0.66) ANPEPDPP4L3MBTL1MAPK1TP53
SCHEMBL11018146 0.74 DPP4 (0.55) ANPEPDPP4TSHRTDP1L3MBTL1
SCHEMBL11019298 0.74 DPP4 (0.52) ANPEPDPP4TSHRL3MBTL1CYP3A4
SCHEMBL11019781 0.74 DPP4 (0.54) ANPEPDPP4SCN2AL3MBTL1MAPK1

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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