SCHEMBL5076832

SCHEMBL5076832

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
DNM1 Q05193 1/20 0.32
BCHE P06276 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL5076205 0.92 GAA (0.36) CHRM2CHRM1CHRM3CHRM4NPSR1
SCHEMBL5079293 0.91 CHRM2 (0.35) CHRM2CHRM1CHRM3CHRM4ALDH1A1
SCHEMBL5075638 0.86 SCN5A (0.37) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5076871 0.85 CHRM2 (0.36) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5352666 0.84 KDM4E (0.33) NPSR1ALDH1A1KDM4ELMNAPOLB
SCHEMBL26212351 0.82 KDM4E (0.34) ALDH1A1KDM4ELMNA
SCHEMBL5365496 0.81 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL5347727 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAPOLBCYP1A2
SCHEMBL5079239 0.78 CNR2 (0.36) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL14449006 0.78 KDM4E (0.47) ALDH1A1THRBKDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937734-B1 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GES M B H (AT) 2018-04-04 EP disclosed
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