SCHEMBL4669099

SCHEMBL4669099

Clc1ccc(C(Cc2ccccc2)OCCOC(Cc2ccccc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
CNR2 P34972 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL4669101 0.93 CHRNB2 (0.57) CHRNB2CHRNA4PPARGPPARASLC6A4
SCHEMBL10974760 0.85 CHRNB2 (0.53) CHRNB2CHRNA4PPARGPPARASLC6A4
SCHEMBL10965877 0.82 CHRNB2 (0.50) CHRNB2CHRNA4PPARGPPARASLC6A4
SCHEMBL10969378 0.80 SIGMAR1 (0.56) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL10966028 0.78 SIGMAR1 (0.49) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4057684 0.77 CHRM3 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4064509 0.77 CHRM3 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4060176 0.77 CHRM3 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL7962794 0.76 SLC6A4 (0.39) CHRNB2CHRNA4SLC6A4SLC6A2SLC6A3
SCHEMBL11953999 0.76 CHRNB2 (0.42) CHRNB2CHRNA4SLC6A4SLC6A2SLC6A3

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-1930308-A1 Pharmaceutical agents for the treatment of cerebral amyloidosis NYMOX CORPORATION (CA) 2008-06-11 EP disclosed