SCHEMBL12975855

SCHEMBL12975855

C=CNC(=O)OCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.37
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL11122001 0.89 TSHR (0.41) TSHRACHEALDH1A1TP53HIF1A
SCHEMBL2056773 0.83 TSHR (0.52) TSHRACHEALDH1A1TP53HIF1A
SCHEMBL3686781 0.81
SCHEMBL21570869 0.80 TSHR (0.48) TSHRACHEALDH1A1SMN1; SMN2HPGD
SCHEMBL27803239 0.79 KDM4E (0.40) TSHRACHEALDH1A1SMN1; SMN2HPGD
SCHEMBL640238 0.79 THRB (0.52) TSHRACHEALDH1A1TP53HIF1A
SCHEMBL2056762 0.78 TSHR (0.52) TSHRACHEALDH1A1HPGDEPHX1
SCHEMBL2116165 0.78
SCHEMBL5924841 0.78 HPGD (0.57) TSHRACHEALDH1A1SMN1; SMN2HPGD
SCHEMBL21716613 0.76 TDP1 (0.45) TSHRALDH1A1HSD17B10CHRNB2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104380148-B The silicone hydrogel lenses for the barrier ultraviolet light polymerizeing completely 博士伦公司 2018-09-28 CN disclosed
EP-2856218-A1 FULLY POLYMERIZED UV BLOCKING SILICONE HYDROGEL LENS Bausch & Lomb Incorporated (US) 2015-04-08 EP disclosed
CN-104380148-A Fully polymerized UV blocking silicone hydrogel lens BAUSCH & LOMB 2015-02-25 CN disclosed
WO-2013177008-A1 FULLY POLYMERIZED UV BLOCKING SILICONE HYDROGEL LENS BAUSCH & LOMB INCORPORATED (US) 2013-11-28 WO disclosed
US-20100315588-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed