SCHEMBL7962840

SCHEMBL7962840

CCCc1cc2cc(OC(C)=O)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.61
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
CA2 P00918 2/20 0.56
GAPDH P04406 4/20 0.54
KDM4E B2RXH2 3/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOB P27338 3/20 0.45
STS P08842 1/20 0.42
ALDH1A1 P00352 2/20 0.42
FPR1 P21462 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL11750942 0.88 FLT3 (0.64) FLT3CA12CA9CA2GAPDH
SCHEMBL7996062 0.82 FLT3 (0.59) FLT3CA12CA9CA2GAPDH
SCHEMBL10171828 0.79 CYP1A2 (0.46) CA12CA9CA2KDM4EGLA
SCHEMBL31060468 0.76 FLT3 (1.00) FLT3CA12CA9CA2GAPDH
SCHEMBL6300465 0.75 TBXAS1 (0.53)
SCHEMBL6298871 0.74 F2 (0.49) CA12CA9CA2KDM4EPOLB
SCHEMBL2270748 0.73 ALOX15 (0.50) FLT3CA12CA9CA2KDM4E
SCHEMBL16283612 0.73 CA12 (1.00) FLT3CA12CA9CA2GAPDH
SCHEMBL8696625 0.72 FLT3 (0.76) FLT3CA12CA9CA2GAPDH
SCHEMBL7979172 0.72 GAA (0.51) CA12CA9CA2KDM4EGAA

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-2001090105-A1 ISOTHIAZOLES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-11-29 WO disclosed