SCHEMBL5076871

SCHEMBL5076871

CC(C)N(CCOC(=O)OC1CC2C=CC1C2)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5076832 0.85 CHRM2 (0.38) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5075638 0.83 SCN5A (0.37) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5352666 0.80 KDM4E (0.33) ALDH1A1
SCHEMBL5076205 0.80 GAA (0.36) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5075643 0.79 EPHX2 (0.33) ALDH1A1
SCHEMBL5079293 0.79 CHRM2 (0.35) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2136203 0.78 ALDH1A1 (0.42) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5365496 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5347727 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL5182162 0.75 KDM4E (0.42) ALDH1A1

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