SCHEMBL9876519

SCHEMBL9876519

CCC1(C)COC(C)(c2ccccc2)OC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL873359 0.79 CHRNB2 (0.41) LMNACHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL9876612 0.78 SLC6A2 (0.35) POLBCHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL27997710 0.76 CHRNB2 (0.39) LMNACHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL9709000 0.76 AKR1C1 (0.40) LMNAMAPK1CHRNB2SLC6A2CHRNB4
SCHEMBL1664714 0.74 TSHR (0.47) LMNAMAPK1CHRNB2SLC6A2CHRNB4
SCHEMBL14306895 0.71 CYP1A2 (0.42) MAPK1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL6493723 0.71 MEN1 (0.40) POLBCHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL5616835 0.71 CYP1A2 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6493726 0.71 MEN1 (0.40) POLBCHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL9315392 0.69 CHRNB2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed