SCHEMBL4598124

SCHEMBL4598124

CCOC(=O)c1c(N2CCOCC2)c2c(c3ccccc13)OC(c1ccccc1)(c1ccccc1)C=C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 1/20 0.43
DGAT1 O75907 10/20 0.42
SOAT1 P35610 8/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA1 P30542 1/20 0.41
GRM6 O15303 1/20 0.40
PIK3CA P42336 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL3830804 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL29565421 0.82 MAPT (0.43) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL4598178 0.82 MAPT (0.43) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL4597629 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL29565457 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL4597787 0.81 SMN1; SMN2 (0.48) ALDH1A1HSD17B10HPGDKDM4ETP53
SCHEMBL30094410 0.81 SMN1; SMN2 (0.48) ALDH1A1HSD17B10HPGDKDM4ETP53
SCHEMBL4596761 0.80 MEN1 (0.40) ALDH1A1HSD17B10HPGDKDM4ETP53
SCHEMBL17929235 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDALOX15DGAT1
SCHEMBL4597892 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877856-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES Bausch & Lomb Incorporated (US) 2008-01-16 EP claimed
US-20070159594-A9 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2007-07-12 US claimed
WO-2006119328-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES BAUSCH & LOMB INCORPORATED (US) 2006-11-09 WO claimed
US-20050254003-A1 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2005-11-17 US claimed
EP-1877856-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES Bausch & Lomb Incorporated (US) 2008-01-16 EP disclosed
US-20070159594-A9 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2007-07-12 US disclosed
WO-2006119328-A1 PHOTOCHROMIC BLUE LIGHT FILTERING MATERIALS AND OPHTHALMIC DEVICES BAUSCH & LOMB INCORPORATED (US) 2006-11-09 WO disclosed
US-20050254003-A1 Photochromic blue light filtering materials and ophthalmic devices BAUSCH & LOMB INCORPORATED 2005-11-17 US disclosed