SCHEMBL17847442

SCHEMBL17847442

C=C(CC(C)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KCNQ2 O43526 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.43
KMT2A Q03164 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2782834 0.82 KMT2A (0.45) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL17847512 0.80 CHRM3 (0.50) CHRM3ALDH1A1KDM4ENPSR1KCNQ2
SCHEMBL17847450 0.80 L3MBTL1 (0.53) ALDH1A1KDM4ENPSR1MAPTL3MBTL1
SCHEMBL19712958 0.80 CHRM3 (0.45) CHRM3NPSR1KCNQ2MAPTL3MBTL1
SCHEMBL6514305 0.80 CHRM3 (0.52) CHRM3ALDH1A1KDM4ENPSR1KCNQ2
SCHEMBL22318881 0.78 CHRM3 (0.48) CHRM3ALDH1A1KDM4ENPSR1KCNQ2
SCHEMBL22318883 0.78 CHRM3 (0.48) CHRM3ALDH1A1KDM4ENPSR1KCNQ2
SCHEMBL19712991 0.77 CHRM3 (0.45) CHRM3ALDH1A1NPSR1KCNQ2MAPT
SCHEMBL28421034 0.77 KDM4E (0.67) CHRM3ALDH1A1KDM4EKCNQ2MAPT
SCHEMBL17847445 0.75 CHRM3 (0.55) CHRM3ALDH1A1CHRM2CHRM1

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