SCHEMBL14064893

SCHEMBL14064893

CCC(C)C(=O)OCCC(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CA2 P00918 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
SCHEMBL8954891 0.83 CA12 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TDP1
SCHEMBL891188 0.83 CA12 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TDP1
SCHEMBL13667079 0.82 ALDH1A1 (0.37) CA2
SCHEMBL10044202 0.81 TSHR (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CA2
SCHEMBL16682457 0.79 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL29129673 0.79 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CA2
SCHEMBL805664 0.78 HCAR2 (0.40) CHRM1HDAC1HDAC2TDP1CA2
SCHEMBL805650 0.78 HCAR2 (0.40) CHRM1HDAC1HDAC2TDP1CA2
SCHEMBL17617139 0.78 HCAR2 (0.40) CHRM1HDAC1HDAC2TDP1CA2
SCHEMBL13563549 0.78 ALDH1A1 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3TDP1

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-7423075-B2 Polymer, polymer-containing composition containing the same, ink composition, and ink applying method, image forming method and image forming apparatus which make use of ink composition CANON KABUSHIKI KAISHA (JP) 2008-09-09 US disclosed