SCHEMBL17847445

SCHEMBL17847445

C=C(CCOC(=O)Nc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.55
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
ALDH1A1 P00352 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46

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
SCHEMBL17847478 0.92 CHRM3 (0.53) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL17856291 0.80 CHRM3 (0.59) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL19713012 0.80 CHRM3 (0.54) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL2317558 0.80 NPC1 (0.58) ALDH1A1
SCHEMBL19713007 0.78 CHRM3 (0.52) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL17847447 0.78 KMT2A (0.51) ALDH1A1
SCHEMBL6609768 0.78 CYP1A2 (0.63) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL8325863 0.77 CHRM3 (0.51) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL5475717 0.77 PTPN1 (0.62) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL8550052 0.77 GOT1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 EP disclosed
EP-3233791-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096641-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO disclosed