SCHEMBL20042014

SCHEMBL20042014

CCC1(c2ccc(O)cc2)CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.43
SLC6A3 Q01959 10/20 0.43
ESR2 Q92731 6/20 0.40
ESR1 P03372 3/20 0.38

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
SCHEMBL13067018 0.84 SLC6A4 (0.47) SLC6A4SLC6A3
SCHEMBL10791207 0.79 ESR1 (0.55) SLC6A4SLC6A3ESR2ESR1
SCHEMBL8908857 0.75 ESR2 (0.61) SLC6A4SLC6A3ESR2ESR1
SCHEMBL9185040 0.71 ESR2 (0.44) ESR2ESR1
SCHEMBL3212477 0.70 SLC6A4 (0.60) SLC6A4SLC6A3
SCHEMBL157149 0.69 ESR2 (0.53) SLC6A4SLC6A3ESR2ESR1
SCHEMBL5089821 0.67 SLC6A4 (0.72) SLC6A4SLC6A3
SCHEMBL3223819 0.67 SLC6A4 (0.68) SLC6A4SLC6A3
SCHEMBL29156156 0.67 CNR1 (0.49) SLC6A4SLC6A3ESR2ESR1
SCHEMBL7183973 0.67 ESR2 (0.55) ESR2ESR1

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
EP-2655476-B1 METHOD FOR LAYING PARQUET FLOORING WITH IMPROVED DIMENSIONAL STABILITY BOSTIK SA (FR) 2018-04-11 EP disclosed