SCHEMBL4787320

SCHEMBL4787320

CC(C)c1ccc(-c2nc3c(c(=O)n2-c2ccc(Cl)cc2)n(CCCC(=O)O)c(=O)n3-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
DHFR P00374 1/20 0.40
THRB P10828 1/20 0.38
TP53 P04637 3/20 0.37
P2RX3 P56373 2/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4788717 0.95 MAPT (0.42) MAPTDHFRTHRBTP53GRM5
SCHEMBL4789117 0.92 TP53 (0.40) MAPTDHFRTHRBTP53P2RX3
SCHEMBL4788000 0.88 LMNA (0.40) MAPTDHFRTHRBTP53P2RX3
SCHEMBL4786905 0.87 DHFR (0.45) MAPTDHFRTHRBTP53GRM5
SCHEMBL14021050 0.86 MAPT (0.45) MAPTDHFRTHRBTP53GRM5
SCHEMBL4788795 0.83 MAPT (0.42) MAPTDHFRTP53GRM5GRM1
SCHEMBL4788897 0.79 DHFR (0.44) MAPTDHFRTHRBTP53GRM5
SCHEMBL4786029 0.76 MAPT (0.52) MAPTDHFRTP53GRM5GRM1
SCHEMBL2116730 0.74 PPARA (0.48) MAPTDHFRTHRBTP53GRM5
SCHEMBL4788865 0.73 MAPT (0.43) MAPTTHRBTP53GRM5GRM1

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
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed