SCHEMBL10179843

SCHEMBL10179843

ClCc1ccc(CC(Cl)(Cl)Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ESR1 P03372 1/20 0.32

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
SCHEMBL97582 0.78 CA1 (0.52) CA1CA2SLC6A4ESR1
SCHEMBL3658885 0.78 SLC6A4 (0.56) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL11613799 0.78 ALDH1A1 (0.52) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL28444880 0.76 IDO1 (0.46)
SCHEMBL3034699 0.76 ESR1 (0.58) CA1CA2SLC6A2ESR1
SCHEMBL3034697 0.76 SLC6A2 (0.33) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL4108567 0.76 CA1 (0.38) CA1CA2SLC6A2HTR2ASLC6A4
SCHEMBL8790408 0.76 SLC6A2 (0.33) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL28446506 0.76 IDO1 (0.46) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL28438760 0.76 TAAR1 (0.42) HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232255-A1 PRETREATMENT CARTRIDGE FOR SEPARATING SUBSTANCE AND METHOD OF PRETREATMENT USING THE SAME TERUO OKANO (JP) 2012-09-13 US disclosed
EP-2474827-A1 PRETREATMENT CARTRIDGE FOR SEPARATING SUBSTANCE AND METHOD OF PRETREATMENT USING SAME CellSeed Inc. (JP) 2012-07-11 EP disclosed