SCHEMBL6569230

SCHEMBL6569230

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CALM1 P0DP23 2/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6568376 0.94 GRIN2D (0.38) TAAR1SLC6A2SLC6A4SLC6A3CALM1
SCHEMBL6567576 0.91 TAAR1 (0.35) TAAR1SLC6A2SLC6A4SLC6A3CALM1
SCHEMBL6567693 0.86 GRIN2D (0.38) TAAR1SLC6A2SLC6A4SLC6A3CALM1
SCHEMBL6568363 0.85 CALM1 (0.36) TAAR1CALM1
SCHEMBL6568426 0.84 CALM1 (0.38) TAAR1CALM1NPSR1
SCHEMBL6569390 0.84 SCN9A (0.33) TAAR1SLC6A2SLC6A4SLC6A3CALM1
SCHEMBL6570597 0.81 TAAR1 (0.37) TAAR1SLC6A2SLC6A4SLC6A3ALOX15
SCHEMBL6570589 0.78 CNR2 (0.38) SLC6A2SLC6A4SLC6A3CALM1
SCHEMBL6567583 0.77 HDAC3 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL6569451 0.77 PARP1 (0.38) TAAR1SLC6A2SLC6A4SLC6A3CALM1

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