SCHEMBL4534502

SCHEMBL4534502

O=C1OCCOc2cccc(c2)CCOC(=O)c2ccc1cc2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS O94925 12/20 0.42
JAK2 O60674 6/20 0.40
JAK1 P23458 6/20 0.40
TYK2 P29597 6/20 0.40
JAK3 P52333 6/20 0.40
ALK Q9UM73 4/20 0.40
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ITGB1 P05556 1/20 0.33
ITGA2 P17301 1/20 0.33

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
SCHEMBL4530284 0.92 GLS (0.41) GLSJAK2JAK1TYK2JAK3
SCHEMBL3294238 0.85
Terephthalic Acid SCHEMBL5847732 0.81 RARA (0.39) GLSJAK2JAK1TYK2JAK3
SCHEMBL28856164 0.77 ALDH1A1 (0.39)
SCHEMBL17628649 0.74 ITGB2 (0.43)
SCHEMBL3874923 0.74 ITGB2 (0.43)
SCHEMBL22419 0.74 ITGB2 (0.43)
SCHEMBL12533563 0.73 GLS (0.47) GLSJAK2JAK1TYK2JAK3
SCHEMBL2232672 0.73 KMT2A (0.36)
SCHEMBL21436797 0.72 ITGB2 (0.41)

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
US-20060029820-A1 Polyamide adhesive and articles including the same H.B. FULLER COMPANY 2006-02-09 US claimed
EP-2990437-B1 Polyamide Hot Melt Coating HENKEL AG & CO KGAA (DE) 2017-10-04 EP disclosed
US-20170158909-A1 Polyamide Hot Melt Coating HENKEL AG & CO. KGAA (DE) 2017-06-08 US disclosed
WO-2016030372-A1 POLYAMIDE HOT MELT COATING HENKEL AG & CO. KGAA (DE) 2016-03-03 WO disclosed
EP-2990437-A1 Polyamide Hot Melt Coating Henkel AG&Co. KGAA (DE) 2016-03-02 EP disclosed
US-7537840-B2 Polyamide adhesive and articles including the same H.B. LICENSING & FINANCING, INC. (US) 2009-05-26 US disclosed
WO-2006017784-A1 POLYAMIDE ADHESIVE AND ARTICLES INCLUDING THE SAME H.B. FULLER LICENSING & FINANCING, INC. (US) 2006-02-16 WO disclosed
US-20060029820-A1 Polyamide adhesive and articles including the same H.B. FULLER COMPANY 2006-02-09 US disclosed