SCHEMBL4728534

SCHEMBL4728534

CCOC(=O)C(=O)C1C(=O)c2ccc(F)cc2OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALK Q9UM73 1/20 0.34
PTPN1 P18031 1/20 0.33
AKR1B1 P15121 1/20 0.33
STK17B O94768 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
SCHEMBL4727314 0.88 LMNA (0.40) MAPTLMNAMEN1CYP1A2CYP2C9
SCHEMBL4726624 0.86 ALDH1A1 (0.34) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4728256 0.86 ALPG (0.41) MAPTLMNAKMT2AKDM4ETDP1
SCHEMBL4726886 0.86 TDP2 (0.41) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL4784487 0.85 ALDH1A1 (0.40) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL4730667 0.84 CNR2 (0.37) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL2171555 0.83 ALDH1A1 (0.45) MAPTMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4728535 0.81 CYP11B2 (0.40) MAPTLMNAMEN1CYP1A2CYP2C9
SCHEMBL4730195 0.79 ALPG (0.41) MAPTLMNAKMT2AKDM4ETDP1
SCHEMBL4726120 0.79 TDP2 (0.39) MAPTLMNAMEN1CYP2C9CYP2C19

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed