SCHEMBL13360681

SCHEMBL13360681

CC1(c2ccc(C3(CO)CO3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 6/20 0.36
SCN10A Q9Y5Y9 1/20 0.33
KCNH2 Q12809 1/20 0.32
EPHX1 P07099 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL13360680 0.80 SLC6A2 (0.42) SLC6A2SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL9667369 0.76 SLC6A4 (0.41) SLC6A2SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL13360678 0.76 LMNA (0.39) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL8951708 0.75 GAA (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8766885 0.75 GAA (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10051720 0.75 SLC6A2 (0.30) SLC6A2SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL25276644 0.71 TSHR (0.39) SCN10AKCNH2
SCHEMBL23977196 0.69 ESR2 (0.41) SCN10AEPHX1
SCHEMBL4492789 0.68 ESR2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL13360679 0.67 SLC6A2 (0.48) SLC6A2SLC6A4CHRNA1CHRNGCHRNB1

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