SCHEMBL5074649

SCHEMBL5074649

C=Cc1ccc(B(O)OOCCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5074647 0.83 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1138737 0.77 ENPP2 (0.43) ALDH1A1
SCHEMBL3999045 0.77 ORAI1 (0.43)
SCHEMBL1138975 0.77 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL3314556 0.74 ALDH1A1 (0.50) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1138377 0.73 ENPP2 (0.48) ALDH1A1
SCHEMBL8608847 0.72 LPL (0.33)
Di(Hydroxyethyl)Ether SCHEMBL28840033 0.72 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11686471 0.71 ALDH1A1 (0.46) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1996399 0.70 POLB (0.47) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508343-B1 MULTILAYER STRUCTURE AND METHOD FOR PRODUCING SAME KURARAY CO (JP) 2020-03-11 EP disclosed
US-9186873-B2 Multilayered structure and method for producing the same KURARAY CO., LTD. (JP) 2015-11-17 US disclosed
EP-2508343-A1 MULTILAYER STRUCTURE AND METHOD FOR PRODUCING SAME Kuraray Co., Ltd. (JP) 2012-10-10 EP disclosed
US-20120237747-A1 MULTILAYERED STRUCTURE AND METHOD FOR PRODUCING THE SAME KURARAY CO., LTD. (JP) 2012-09-20 US disclosed
EP-1314761-B9 RESIN COMPOSITION AND MULTILAYERED CONTAINER KURARAY CO (JP) 2008-10-29 EP disclosed
EP-1314761-B1 RESIN COMPOSITION AND MULTILAYERED CONTAINER KURARAY CO (JP) 2008-05-21 EP disclosed
US-6822031-B2 CONTAINING OXYGEN SCAVENGER KURARAY CO., LTD. (JP) 2004-11-23 US disclosed
EP-1314761-A1 RESIN COMPOSITION AND MULTILAYERED CONTAINER KURARAY CO., LTD. (JP) 2003-05-28 EP disclosed
US-20030018114-A1 Resin composition and a multilayered container KURARAY CO., LTD. (JP) 2003-01-23 US disclosed