SCHEMBL5079293

SCHEMBL5079293

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 2/20 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 0.96 GAA (0.36) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL5076832 0.91 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL5365496 0.83 ALDH1A1 (0.37) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL5352666 0.80 KDM4E (0.33) KDM4EALDH1A1KMT2AEPHX2
SCHEMBL5075638 0.80 SCN5A (0.37) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL5076871 0.79 CHRM2 (0.36) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL26212351 0.79 KDM4E (0.34) KDM4EALDH1A1KMT2AEPHX2
SCHEMBL2138421 0.78 ALDH1A1 (0.42) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL5347727 0.77 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2KMT2AEPHX2
SCHEMBL5079239 0.75 CNR2 (0.36) KDM4ESMN1; SMN2GAAALDH1A1MEN1

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