SCHEMBL6060683

SCHEMBL6060683

CC(C)CCCCC1(C(=O)O)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6060312 0.99 CHRNA7 (0.37) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6059939 0.99 CHRNA7 (0.37) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6060358 0.97 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6060098 0.92 CHRNA7 (0.40) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5073187 0.87 BCHE (0.39) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL5072413 0.86 BCHE (0.39) CHRNA7KMT2AMEN1GAACHRNB2
SCHEMBL6060735 0.86 BCHE (0.39) CHRNA7KMT2AMEN1GAACHRNB2
SCHEMBL5069938 0.86 BCHE (0.40) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6060825 0.83 KMT2A (0.40) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4809759 0.83 SCN1A (0.40) CHRNA7HTR3EHTR3BHTR3AHTR3D

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-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 WO disclosed