SCHEMBL13822326

SCHEMBL13822326

C[n+]1ccccc1CCCO

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
HDAC8 Q9BY41 5/20 0.39
KCNH2 Q12809 4/20 0.37
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13822451 0.94 HSD17B10 (0.44) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL9602287 0.88 HSD17B10 (0.47) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL13595077 0.87 HSD17B10 (0.50) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL13595082 0.85 KCNH2 (0.50) HSD17B10HDAC8KCNH2
Iodide SCHEMBL4408127 0.83 KCNH2 (0.48) HSD17B10HDAC8KCNH2KDM4ESMN1; SMN2
Iodide SCHEMBL28825378 0.82 HSD17B10 (0.44) HSD17B10HDAC8KCNH2ACHETSHR
SCHEMBL29726482 0.82 KCNH2 (0.52) HSD17B10HDAC8KCNH2
SCHEMBL2938596 0.82 KCNH2 (0.52) HSD17B10HDAC8KCNH2
Hydrochloric Acid SCHEMBL326784 0.80 KCNH2 (0.50) HSD17B10HDAC8KCNH2
Hydrochloric Acid SCHEMBL30212931 0.80 KCNH2 (0.50) HSD17B10HDAC8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9356318-B2 Gel polymer electrolyte composition KURARAY CO., LTD. (JP) 2016-05-31 US disclosed
EP-2524932-B1 GEL POLYMER ELECTROLYTE COMPOSITION KURARAY CO (JP) 2015-11-25 EP disclosed
US-20120321963-A1 GEL POLYMER ELECTROLYTE COMPOSITION KURARAY CO., LTD. (JP) 2012-12-20 US disclosed
EP-2524932-A1 GEL POLYMER ELECTROLYTE COMPOSITION Kuraray Co., Ltd. (JP) 2012-11-21 EP disclosed