SCHEMBL5076205

SCHEMBL5076205

CN(C)CCCOC(=O)OC1CC2C=CC1C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR7 P34969 1/20 0.31
KDM4E B2RXH2 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 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
SCHEMBL5079293 0.96 CHRM2 (0.35) GAAALDH1A1TSHRL3MBTL1CHRM2
SCHEMBL5076832 0.92 CHRM2 (0.38) GAAALDH1A1CHRM2CHRM4CHRM1
SCHEMBL5365496 0.85 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL5352666 0.81 KDM4E (0.33) ALDH1A1LMNAEPHX2MAPK1KDM4E
SCHEMBL5075638 0.81 SCN5A (0.37) ALDH1A1TSHRCHRM2CHRM4CHRM1
SCHEMBL5076871 0.80 CHRM2 (0.36) ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5347727 0.78 ALDH1A1 (0.39) ALDH1A1LMNAEPHX2KDM4E
SCHEMBL2140558 0.78 ALDH1A1 (0.43) GAAALDH1A1TSHRL3MBTL1LMNA
SCHEMBL5079239 0.76 CNR2 (0.36) GAAALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL14449006 0.75 KDM4E (0.47) GAAALDH1A1L3MBTL1LMNAEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed