SCHEMBL8530639

SCHEMBL8530639

OCC(F)=CC1(c2ccc(F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.36
HSD11B1 P28845 4/20 0.36
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
OPRM1 P35372 1/20 0.33
TRPA1 O75762 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8530637 1.00 SLC6A3 (0.36) SLC6A3HSD11B1SLC6A4SLC6A2OPRM1
SCHEMBL8532110 0.84 DRD2 (0.36) SLC6A3HSD11B1SLC6A4SLC6A2OPRM1
SCHEMBL7918506 0.84 DRD2 (0.36) SLC6A3HSD11B1SLC6A4SLC6A2OPRM1
SCHEMBL7918509 0.84 DRD2 (0.36) SLC6A3HSD11B1SLC6A4SLC6A2OPRM1
SCHEMBL8534276 0.78 SLC6A4 (0.44) HSD11B1SLC6A4APPCYP3A4CYP2C9
SCHEMBL8531546 0.78 NQO1 (0.41) MEN1KMT2A
SCHEMBL8531488 0.78 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2MAOBMEN1
SCHEMBL8531549 0.78 NQO1 (0.41) MEN1KMT2A
SCHEMBL8531485 0.78 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2MAOBMEN1
SCHEMBL8534274 0.78 SLC6A4 (0.44) HSD11B1SLC6A4APPCYP3A4CYP2C9

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 4 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
EP-0660815-A1 PESTICIDAL FLUOROOLEFINS. BRITISH TECNOLOGY GROUP PLC (GB) 1995-07-05 EP disclosed
WO-1994006741-A1 PESTICIDAL FLUOROOLEFINS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-03-31 WO disclosed