SCHEMBL7805579

SCHEMBL7805579

[CH]1CC1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.45
SLC6A2 P23975 6/20 0.42
SLC6A3 Q01959 5/20 0.42
SLC6A4 P31645 4/20 0.42
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 1/20 0.35
KCNA3 P22001 1/20 0.35
KDM1A O60341 1/20 0.33
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
GAA P10253 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL10546701 0.79 SLC6A2 (0.47) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL17054596 0.74 SLC6A2 (0.36) HRH1SLC6A2SLC6A3SLC6A4TDP1
SCHEMBL1930886 0.73 HRH1 (0.41) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL3345179 0.73 HRH1 (0.37) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL10806280 0.73 HRH1 (0.41) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL29856 0.70 HRH1 (0.71) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL10339339 0.70 HRH1 (0.42) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL8516527 0.70 HRH1 (0.42) HRH1SLC6A2SLC6A3SLC6A4LTA4H
SCHEMBL18656144 0.69 SLC6A2 (0.36) HRH1SLC6A2SLC6A3SLC6A4CA4
SCHEMBL18727509 0.69 SLC6A2 (0.35) HRH1SLC6A2SLC6A3SLC6A4

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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed