SCHEMBL22318883

SCHEMBL22318883

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.48
ALDH1A1 P00352 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNQ2 O43526 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL22318881 1.00 CHRM3 (0.48) CHRM3ALDH1A1CHRM2CHRM1KDM4E
SCHEMBL27220955 0.82 MAPT (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL17847458 0.81 L3MBTL1 (0.48) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL17847455 0.81 L3MBTL1 (0.48) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL17847442 0.78 CHRM3 (0.47) CHRM3ALDH1A1CHRM2CHRM1KDM4E
SCHEMBL17847480 0.78 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL17847476 0.78 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL6514305 0.78 CHRM3 (0.52) CHRM3ALDH1A1CHRM2CHRM1KDM4E
SCHEMBL22318927 0.76 L3MBTL1 (0.44) ALDH1A1KDM4ENPSR1MAPTMEN1
SCHEMBL22318929 0.76 L3MBTL1 (0.44) ALDH1A1KDM4ENPSR1MAPTMEN1

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 1 patent. 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