SCHEMBL8535182

SCHEMBL8535182

CC(=O)OC/C(F)=C/C1(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.41
SLC6A3 Q01959 8/20 0.39
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
SLC6A2 P23975 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGM2 P21980 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
EPHX2 P34913 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL8535184 1.00 SLC6A4 (0.41) SLC6A4SLC6A3MAOBAOC3SLC6A2
SCHEMBL8531152 0.84 ALDH1A1 (0.50) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL8531154 0.84 ALDH1A1 (0.50) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL8534284 0.83 OPRM1 (0.40) SLC6A3POLBSMN1; SMN2
SCHEMBL8534286 0.83 OPRM1 (0.40) SLC6A3POLBSMN1; SMN2
SCHEMBL8531477 0.83 SLC6A4 (0.39) SLC6A4POLBSMN1; SMN2
SCHEMBL8531475 0.83 SLC6A4 (0.39) SLC6A4POLBSMN1; SMN2
SCHEMBL8535765 0.82 OPRM1 (0.40) POLBHPGDSMN1; SMN2
SCHEMBL8535768 0.82 OPRM1 (0.40) POLBHPGDSMN1; SMN2
SCHEMBL8531485 0.80 SLC6A4 (0.44) SLC6A4SLC6A3MAOBAOC3SLC6A2

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-5763700-A INSECTICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-06-09 US disclosed
EP-0660815-B1 PESTICIDAL FLUOROOLEFINS BRITISH TECH GROUP (GB) 1997-04-16 EP disclosed
WO-1994006741-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 WO disclosed