SCHEMBL4338809

SCHEMBL4338809

C=C1c2ccccc2CC1(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
ACHE P22303 1/20 0.33
ALOX12 P18054 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KMT2A Q03164 3/20 0.33
CES1 P23141 2/20 0.32
MAOA P21397 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
CASP6 P55212 1/20 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
SCHEMBL4459204 0.74 NPSR1 (0.50) LMNANPSR1HTTL3MBTL1ALDH1A1
SCHEMBL7557322 0.74 PDK2 (0.39) LMNANPSR1HTTL3MBTL1ALDH1A1
SCHEMBL15700144 0.72 HTT (0.49) LMNANPSR1HTTL3MBTL1ALDH1A1
SCHEMBL30638044 0.67 HTR2A (0.35) TSHRMAOB
SCHEMBL11154101 0.67 GAA (0.39) LMNAHTTL3MBTL1ALDH1A1POLB
SCHEMBL11703613 0.66 ALDH1A1 (0.41) LMNANPSR1HTTL3MBTL1ALDH1A1
SCHEMBL11702895 0.66 ALDH1A1 (0.38) LMNANPSR1HTTALDH1A1POLB
SCHEMBL11766239 0.66 ALDH1A1 (0.35) LMNANPSR1HTTALDH1A1POLB
SCHEMBL11767673 0.66 ALDH1A1 (0.35) LMNANPSR1HTTALDH1A1POLB
Hydrochloric Acid SCHEMBL11708273 0.65 LMNA (0.37) LMNAHTTALDH1A1POLBALOX12

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-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed