SCHEMBL4331525

SCHEMBL4331525

Cc1ccc(C2CCC(C3CCC(C=O)CC3)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
RIPK1 Q13546 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL4331520 1.00 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4RIPK1CHRNA1
SCHEMBL4331522 1.00 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4RIPK1CHRNA1
SCHEMBL2272522 0.86 USP5 (0.37) HDAC6
SCHEMBL8451674 0.86 USP5 (0.37) HDAC6
SCHEMBL2272518 0.86 USP5 (0.37) HDAC6
SCHEMBL2272516 0.86 USP5 (0.37) HDAC6
SCHEMBL18476378 0.85 SLC6A3 (0.34) SLC6A3SLC6A2SLC6A4RIPK1CHRNA1
SCHEMBL13986757 0.85 SLC6A3 (0.34) SLC6A3SLC6A2SLC6A4RIPK1CHRNA1
SCHEMBL13417695 0.84 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4RIPK1CHRNA1
SCHEMBL8963109 0.83 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4RIPK1CHRNA1

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
EP-2020407-B1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF JNC CORP (JP) 2013-07-03 EP disclosed
EP-2020407-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Chisso Corporation (JP) 2009-02-04 EP disclosed