SCHEMBL13639480

SCHEMBL13639480

CC(C)c1cc(C(=O)c2ccccc2C=O)cc(C(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.60
GABRB1 P18505 3/20 0.60
BCL2 P10415 3/20 0.52
MCL1 Q07820 2/20 0.52
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
HSP90AB1 P08238 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GLRA1 P23415 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
FAAH O00519 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 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
SCHEMBL11326985 0.81 GABRA1 (0.68) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8077329 0.80 GABRA1 (0.66) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL11758041 0.80 GABRA1 (0.71) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8081926 0.79 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8067388 0.79 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8077318 0.79 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8075421 0.79 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8075433 0.78 GABRA1 (0.62) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8077077 0.77 GABRA1 (0.60) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8082189 0.77 GABRA1 (0.60) GABRA1GABRB1BCL2MCL1GAA

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-2520290-A1 Propofol analogs, process for their preparation, and methods of use Abraxis BioScience, LLC (US) 2012-11-07 EP disclosed