SCHEMBL14464600

SCHEMBL14464600

CCc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 3/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 2/20 0.31

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
Spiromesifen SCHEMBL25068 0.90 THRB (0.31) POLBALDH1A1THRBTP53LMNA
SCHEMBL3433027 0.89 THRB (0.35) POLBALDH1A1THRBTP53LMNA
Spiromesifen SCHEMBL4338518 0.86
SCHEMBL11986872 0.83 POLB (0.30) POLB
SCHEMBL11986869 0.81 THRB (0.32) POLBTHRBTP53
Spiromesifen SCHEMBL19032812 0.80
SCHEMBL15693409 0.80 ALDH1A1 (0.34) POLBALDH1A1THRBTP53LMNA
SCHEMBL16511965 0.80 MAPT (0.34) POLBTHRBTP53LMNA
SCHEMBL11986868 0.80
SCHEMBL782178 0.79

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-2006002824-A9 USE OF 3-(2,4,6-TRIMETHYLPHENYL)-4-NEOPENTYLCARBONYLOXY-5,5-TETRAMETHYLENE-?- -DIHYDROFURAN-2-ON FOR CONTROLLING PSYLLIDAE BAYER CROPSCIENCE AG (DE) 2007-07-26 WO disclosed