SCHEMBL9796965

SCHEMBL9796965

c1ccc(C23COC(c4ccncc4)(OC2)OC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
PNMT P11086 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL23117237 0.88 PNMT (0.41) PNMTSLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL9667411 0.78 CHRNB2 (0.37) PNMTBACE1BACE2SLC6A2SLC6A3
SCHEMBL11020140 0.76 ADRA2B (0.43) NOTUMLMNANPSR1BACE1BACE2
SCHEMBL10772065 0.74
SCHEMBL9212549 0.74 CYP2C9 (0.42) PNMTSLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL23532453 0.73 CHRNB2 (0.39) PNMTSLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL9214306 0.73 GABRA1 (0.32) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL9792509 0.71 NOTUM (0.39) NOTUMLMNANPSR1BACE1BACE2
SCHEMBL4376737 0.70 PNMT (0.45) PNMTLMNASLC6A2SLC6A3CHRNB2
SCHEMBL8929733 0.68 SLC6A2 (0.43) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3

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-5057504-A PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-15 US disclosed
EP-0243184-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-10-28 EP disclosed