SCHEMBL13360680

SCHEMBL13360680

Cc1ccc(C2(CO)CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
SLC6A4 P31645 6/20 0.34
HSD11B1 P28845 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
SCHEMBL8112721 0.81 CHRNA1 (0.40) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13360681 0.80 SLC6A2 (0.36) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9667369 0.79 SLC6A4 (0.41) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13360678 0.79 LMNA (0.39) SLC6A2SLC6A3ALDH1A1LMNASMN1; SMN2
SCHEMBL8951708 0.78 GAA (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8766885 0.78 GAA (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8805102 0.78 SLC6A2 (0.38) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13360679 0.77 SLC6A2 (0.48) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9839209 0.75 LMNA (0.41) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL10051720 0.74 SLC6A2 (0.30) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2

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-20100113678-A1 FLUORINE-CONTAINING NOVOLAC RESIN, FLUORINE-CONTAINING SURFACTANT, FLUORINE-CONTAINING SURFACTANT COMPOSITION, AND RESIN COMPOSITION DIC CORPORATION (JP) 2010-05-06 US disclosed