SCHEMBL3830804

SCHEMBL3830804

CCOC(=O)c1c2c(c3ccccc3c1C)OC(c1ccccc1)(c1ccc(N3CCOCC3)cc1)C=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
DGAT1 O75907 6/20 0.40
SOAT1 P35610 5/20 0.40
KDM4E B2RXH2 2/20 0.40
GRM6 O15303 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
DNMT1 P26358 1/20 0.39

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
SCHEMBL3822262 0.89 ALDH1A1 (0.40) ALDH1A1HPGDALOX15HSD17B10LMNA
SCHEMBL4598124 0.87 ALDH1A1 (0.49) ALDH1A1HPGDALOX15HSD17B10DGAT1
SCHEMBL4598178 0.84 MAPT (0.43) ALDH1A1HPGDALOX15HSD17B10LMNA
SCHEMBL29565421 0.84 MAPT (0.43) ALDH1A1HPGDALOX15HSD17B10LMNA
SCHEMBL7971543 0.84 KIF11 (0.40) ALDH1A1HPGDALOX15HSD17B10LMNA
SCHEMBL3164927 0.82 MAPT (0.41) ALDH1A1ALOX15MAPTGAAKDM4E
SCHEMBL29565400 0.82 MAPT (0.41) ALDH1A1ALOX15MAPTGAAKDM4E
SCHEMBL5160384 0.81 MAPT (0.40) ALDH1A1ALOX15LMNAMAPTKDM4E
SCHEMBL5646820 0.80 DGAT1 (0.41) ALDH1A1HPGDALOX15HSD17B10LMNA
SCHEMBL5158212 0.79 MAPT (0.43) ALDH1A1ALOX15MAPTGAAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707610-B1 Photochromic polymerizable composition TOKUYAMA CORP (JP) 2009-09-09 EP disclosed
EP-1707610-A2 Photochromic polymerizable composition Tokuyama Corporation (JP) 2006-10-04 EP disclosed
US-6362248-B1 MIXTURE OF (METH)ACRYLATE MONOMER AND CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2002-03-26 US disclosed
EP-0984053-A1 PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2000-03-08 EP disclosed