SCHEMBL8286757

SCHEMBL8286757

Cc1cccc(C(=O)c2cc(C(C)C)c(O)c(C(C)C)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.71
GABRB1 P18505 2/20 0.71
CNR2 P34972 3/20 0.51
BCL2 P10415 1/20 0.49
MCL1 Q07820 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.47
CNR1 P21554 1/20 0.47
CTSL P07711 1/20 0.46
CTSK P43235 1/20 0.46
PTGS1 P23219 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL29405385 0.83 GABRA1 (1.00) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8081937 0.83 GABRA1 (0.69) GABRA1GABRB1CNR2BCL2MCL1
SCHEMBL8080419 0.83 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL13639493 0.83 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8077296 0.83 GABRA1 (0.69) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL28078271 0.82 GABRA1 (0.78) GABRA1GABRB1BCL2MCL1GAA
SCHEMBL8077322 0.81 GABRA1 (0.72) GABRA1GABRB1CNR2BCL2MCL1
SCHEMBL186545 0.80 PARP1 (0.68) CNR2KCNK3KCNK9POLBPARP1
SCHEMBL29503529 0.80 PARP1 (0.68) CNR2KCNK3KCNK9POLBPARP1
SCHEMBL8077306 0.80 GABRA1 (0.65) GABRA1GABRB1CNR2BCL2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520290-B1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE LLC (US) 2014-12-10 EP disclosed
EP-2520290-A1 Propofol analogs, process for their preparation, and methods of use Abraxis BioScience, LLC (US) 2012-11-07 EP disclosed
WO-2005063665-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC (US) 2005-07-14 WO disclosed