SCHEMBL2586793

SCHEMBL2586793

C=COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
HAO1 Q9UJM8 2/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ACMSD Q8TDX5 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL4540000 0.81 HRH3 (0.44) HRH3HAO1KCNH2MAPTALDH1A1
SCHEMBL2161069 0.81 HAO1 (0.44) HRH3HAO1KCNH2MAPTALDH1A1
SCHEMBL6002586 0.79 HRH3 (0.43) HRH3HAO1KCNH2MAPTALDH1A1
SCHEMBL2089543 0.78 HAO1 (0.47) HRH3HAO1KCNH2MAPTALDH1A1
SCHEMBL15045550 0.78 HRH3 (0.39) HRH3KCNH2SMN1; SMN2
SCHEMBL6704196 0.77 HAO1 (0.59) HRH3HAO1KCNH2MAPTALDH1A1
SCHEMBL2586831 0.77 NPC1 (0.54) HRH3HAO1KCNH2MAPTALDH1A1
SCHEMBL677295 0.76 HRH3 (0.55) HRH3HAO1KCNH2KMT2AMEN1
SCHEMBL15260520 0.76 HDAC8 (0.52) HRH3HAO1KCNH2MAPTSMN1; SMN2
SCHEMBL6275125 0.76 HDAC8 (0.52) HRH3HAO1KCNH2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765310-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI, LTD. (JP) 2014-07-01 US disclosed
US-20110269026-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME HITACHI, LTD. (JP) 2011-11-03 US disclosed