SCHEMBL13360679

SCHEMBL13360679

Cc1cccc(C2(CO)CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.48
CHRNA1 P02708 2/20 0.48
CHRNG P07510 2/20 0.48
CHRNB1 P11230 2/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CHRND Q07001 2/20 0.48
HTR2C P28335 2/20 0.40
HDAC4 P56524 1/20 0.40
HTR2A P28223 1/20 0.40
ACHE P22303 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL28720682 0.86 CHRNA1 (0.46) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL12966320 0.79 SLC6A2 (0.51) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL11682414 0.78 CHRNA1 (0.41) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13360680 0.77 SLC6A2 (0.42) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL8951708 0.77 GAA (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8766885 0.77 GAA (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16089719 0.76 CHRNA1 (0.43) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9802173 0.76 CHRNA1 (0.40) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16089748 0.74 CHRNA1 (0.42) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1987956 0.74 HDAC4 (0.45) 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