SCHEMBL9804017

SCHEMBL9804017

c1ccc2c(c1)oc1ccc(OCCCCCCc3ccns3)cc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.51
ACSL6 Q9UKU0 2/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAOB P27338 8/20 0.47
HRH3 Q9Y5N1 8/20 0.47
BCHE P06276 7/20 0.47
ACHE P22303 4/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9804075 0.80 BCHE (0.48) ACSL1ACSL6MAOBHRH3BCHE
SCHEMBL7397081 0.77 ACSL1 (0.56) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL7405337 0.77 ACSL1 (0.56) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL9804088 0.76 LMNA (0.47) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL9804039 0.76 LMNA (0.47) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL9804000 0.75 LMNA (0.49) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL9804091 0.74 NPSR1 (0.50) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL5579221 0.74 LMNA (0.62) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL5390554 0.74 LMNA (0.58) ACSL1ACSL6NPC1MAPTMAOB
SCHEMBL16806176 0.72 LMNA (0.60) ACSL1ACSL6NPC1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP disclosed