SCHEMBL6567576

SCHEMBL6567576

CC(C)CCc1ccc2c(c1)OCC(O)(CCl)O2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CALM1 P0DP23 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6567693 0.92 GRIN2D (0.38) TAAR1SLC6A2SLC6A4SLC6A3CALM1
SCHEMBL6569230 0.91 TAAR1 (0.34) TAAR1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL6569099 0.85 TAAR1 (0.36) TAAR1CALM1LMNAHPGD
SCHEMBL6568376 0.85 GRIN2D (0.38) TAAR1SLC6A2SLC6A4SLC6A3CALM1
SCHEMBL6569112 0.84 SCN9A (0.34) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6570579 0.83 CALM1 (0.38) TAAR1CALM1NPSR1HPGD
SCHEMBL6569219 0.81 TAAR1 (0.38) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6568369 0.80 MEN1 (0.38) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6570547 0.77 KDM4E (0.40) SLC6A2SIGMAR1SMN1; SMN2
SCHEMBL28609664 0.77 KDM4E (0.40) SLC6A2SIGMAR1SMN1; SMN2

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-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed