SCHEMBL8317481

SCHEMBL8317481

CCOc1ccc(C(C)(C)C=C(F)COC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAOB P27338 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
AOC3 Q16853 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
AR P10275 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK1 P53350 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PARP10 Q53GL7 1/20 0.38
POLB P06746 1/20 0.38
PLA2G4B P0C869 1/20 0.38

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
SCHEMBL8317478 1.00 ALDH1A1 (0.52) ALDH1A1MAOBCYP1A1CYP1B1AOC3
SCHEMBL8318490 0.84 EPHX2 (0.41) ALDH1A1MAOBAOC3EPHX2NR1H4
SCHEMBL8318493 0.84 EPHX2 (0.41) ALDH1A1MAOBAOC3EPHX2NR1H4
SCHEMBL8319359 0.82 GRIN2D (0.40) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL8319358 0.82 GRIN2D (0.40) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL8319363 0.80 NQO1 (0.44) MAOBCYP1A1CYP1B1AOC3EPHX2
SCHEMBL8319360 0.80 NQO1 (0.44) MAOBCYP1A1CYP1B1AOC3EPHX2
SCHEMBL8321329 0.76 PLK1 (0.44) ALDH1A1MAOBCYP1A1CYP1B1EPHX2
SCHEMBL8321332 0.76 PLK1 (0.44) ALDH1A1MAOBCYP1A1CYP1B1EPHX2
SCHEMBL8531152 0.72 ALDH1A1 (0.50) ALDH1A1LMNAMAPTL3MBTL1MEN1

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
US-5880162-A INSECTICIDES FOR SOIL BORNE INSECT PESTS BRITISH TECHNOLOGY GROUP, LTD. (GB) 1999-03-09 US disclosed
EP-0757668-A1 PESTICIDAL FLUOROOLEFINS British Technology Group Ltd. (GB) 1997-02-12 EP disclosed
WO-1995029887-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-09 WO disclosed