SCHEMBL11069475

SCHEMBL11069475

C=C1CCCC(C(=O)OC)C1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 1/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3974808 0.80 CYP1A2 (0.41) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL8020201 0.72 CYP1A2 (0.43) CHRM2CHRM4CHRM3SLC6A2CYP1A2
SCHEMBL8020205 0.72 CYP1A2 (0.43) CHRM2CHRM4CHRM3SLC6A2CYP1A2
SCHEMBL7718731 0.72 CYP1A2 (0.43) CHRM2CHRM4CHRM3SLC6A2CYP1A2
SCHEMBL9133786 0.71 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL9133791 0.71 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL272354 0.71 CHRM2 (0.48) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL13595131 0.71 CHRM2 (0.48) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL11514730 0.71 CHRM2 (0.48) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4614064 0.71 CHRM2 (0.53) CHRM2CHRM4CHRM3SLC6A2SLC6A4

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
US-4433135-A USING ALUMINUM SULFATE AS DESICCANT AKZONA INCORPORATED (US) 1984-02-21 US disclosed