SCHEMBL12295178

SCHEMBL12295178

FC(F)(S)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
SIGMAR1 Q99720 3/20 0.34
ACHE P22303 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 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
SCHEMBL462050 0.78 CYP1A2 (0.40) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL11858062 0.78 CYP1A2 (0.40) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL22672397 0.78 CYP1A2 (0.40) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL1928749 0.75 CYP1A2 (0.36) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL16825252 0.74 CYP1A2 (0.37) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL21964977 0.74 CYP1A2 (0.42) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL13464765 0.74 CYP1A2 (0.42) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL22520541 0.70 CYP1A2 (0.39) CYP1A2SIGMAR1
SCHEMBL692846 0.70 CYP1A2 (0.33) CYP1A2SIGMAR1
SCHEMBL9908337 0.70 CYP1A2 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011118855-A1 PATTERN FORMING METHOD AND RESIST COMPOSITION FUJIFILM CORPORATION (JP) 2011-09-29 WO disclosed