SCHEMBL2586831

SCHEMBL2586831

C=CCOc1ccc(C2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 2/20 0.54
HRH3 Q9Y5N1 6/20 0.51
KCNH2 Q12809 3/20 0.51
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
GPR35 Q9HC97 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HAO1 Q9UJM8 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31267768 0.91 CA12 (0.47) NPC1MAPTRAB9AHRH3KCNH2
SCHEMBL603311 0.83 HRH3 (0.51) NPC1MAPTRAB9AHRH3KCNH2
SCHEMBL12835619 0.83 ESR2 (0.47) NPC1MAPTRAB9AHRH3POLB
SCHEMBL603312 0.83 HRH3 (0.51) NPC1MAPTRAB9AHRH3KCNH2
SCHEMBL23084958 0.80 NPC1 (0.41) NPC1MAPTRAB9AHRH3KCNH2
SCHEMBL61119 0.80 HRH3 (0.55) NPC1MAPTRAB9AHRH3KCNH2
SCHEMBL15869166 0.80 ALDH1A1 (0.42) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL677295 0.79 HRH3 (0.55) NPC1RAB9AHRH3KCNH2MEN1
SCHEMBL10619463 0.79 CYP2C9 (0.49) NPC1MAPTRAB9AHRH3MEN1
SCHEMBL10619470 0.79 CYP2C9 (0.49) NPC1MAPTRAB9AHRH3MEN1

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-117769542-A Sulfonamide orexin receptor agonists and uses thereof 爵士制药爱尔兰有限公司 2024-03-26 CN disclosed
US-8765310-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI, LTD. (JP) 2014-07-01 US disclosed
CN-102237552-B Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI LTD 2014-05-28 CN disclosed
CN-102237552-A Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI LTD 2011-11-09 CN disclosed
US-20110269026-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME HITACHI, LTD. (JP) 2011-11-03 US disclosed