SCHEMBL3879963

SCHEMBL3879963

C=C(C)C(=O)OCCCOc1ccc2nn(-c3cc(OC)cc(C(C)(C)C)c3O)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 6/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
P2RY12 Q9H244 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NR1I2 O75469 1/20 0.31
HPGDS O60760 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL292630 0.96 POLB (0.39) POLBAPEX1HTTTDP1CA1
SCHEMBL29399137 0.96 POLB (0.39) POLBAPEX1HTTTDP1CA1
SCHEMBL2778858 0.92 POLB (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL29399534 0.92 POLB (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL8397404 0.88 TDP1 (0.37) POLBAPEX1HTTTDP1MAPT
SCHEMBL30887119 0.88 POLB (0.36) POLBAPEX1HTTTDP1CA1
SCHEMBL19252768 0.88 TDP1 (0.39) POLBAPEX1HTTTDP1MAPT
SCHEMBL30602832 0.88 POLB (0.36) POLBAPEX1HTTTDP1MAPT
SCHEMBL554511 0.88 POLB (0.36) POLBAPEX1HTTTDP1MAPT
SCHEMBL31216420 0.87 HTT (0.39) POLBAPEX1HTTTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7584630-B2 Photochromic ocular devices TRANSITIONS OPTICAL, INC. (US) 2009-09-08 US claimed
EP-1604231-B9 PHOTOCHROMIC OCULAR DEVICES TRANSITIONS OPTICAL INC (US) 2009-01-07 EP claimed
EP-1604231-B1 PHOTOCHROMIC OCULAR DEVICES TRANSITIONS OPTICAL INC (US) 2008-07-02 EP claimed
US-20070113587-A1 Photochromic ocular devices TRANSITIONS OPTICAL LIMITED (IE) 2007-05-24 US claimed
EP-0283166-B1 2-(2'-HYDROXYPHENYL)-5(6) (ACRYLOYLOXYALKOXY)-BENZOTRIAZOLE AND ULTRAVIOLET ABSORBING POLYMERS THEREFROM IOLAB CORPORATION (US) 1992-01-02 EP claimed
US-7584630-B2 Photochromic ocular devices TRANSITIONS OPTICAL, INC. (US) 2009-09-08 US disclosed
EP-1604231-B9 PHOTOCHROMIC OCULAR DEVICES TRANSITIONS OPTICAL INC (US) 2009-01-07 EP disclosed
EP-1604231-B1 PHOTOCHROMIC OCULAR DEVICES TRANSITIONS OPTICAL INC (US) 2008-07-02 EP disclosed
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
US-20070113587-A1 Photochromic ocular devices TRANSITIONS OPTICAL LIMITED (IE) 2007-05-24 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
US-20040186241-A1 Photochromic ocular devices TRANSITIONS OPTICAL, INC. 2004-09-23 US disclosed
EP-0433085-B1 Method of forming shaped hydrogel articles including contact lenses JOHNSON & JOHNSON VISION PROD (US) 1997-06-11 EP disclosed
EP-0283166-B1 2-(2'-HYDROXYPHENYL)-5(6) (ACRYLOYLOXYALKOXY)-BENZOTRIAZOLE AND ULTRAVIOLET ABSORBING POLYMERS THEREFROM IOLAB CORPORATION (US) 1992-01-02 EP disclosed
US-5039459-A Molding and polymerizing directly, borate ester diluent aids demolding JOHNSON & JOHNSON VISION PRODUCTS, INC. (US) 1991-08-13 US disclosed
EP-0433085-A2 Method of forming shaped hydrogel articles including contact lenses JOHNSON & JOHNSON VISION PRODUCTS, INC. (US) 1991-06-19 EP disclosed
US-4889664-A MOLDING HYDROPHILIC (METH)ACRYLATE ESTER AND WATER DISPLACABLE BORIC ACID ESTER DILUENT VISTAKON, INC. (US) 1989-12-26 US disclosed