SCHEMBL8534276

SCHEMBL8534276

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD1 P21728 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD11B1 P28845 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 2/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
PDE2A O00408 1/20 0.32
APP P05067 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32

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
SCHEMBL8534274 1.00 SLC6A4 (0.44) SLC6A4NPC1RAB9AMEN1KMT2A
SCHEMBL8531475 0.80 SLC6A4 (0.39) SLC6A4NPC1RAB9AMEN1KMT2A
SCHEMBL8531477 0.80 SLC6A4 (0.39) SLC6A4NPC1RAB9AMEN1KMT2A
SCHEMBL8531546 0.79 NQO1 (0.41) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL8531488 0.79 SLC6A4 (0.44) SLC6A4RAB9AMEN1KMT2AHTT
SCHEMBL8531549 0.79 NQO1 (0.41) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL8530639 0.78 SLC6A3 (0.36) SLC6A4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL8530637 0.78 SLC6A3 (0.36) SLC6A4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL8532110 0.76 DRD2 (0.36) SLC6A4HSD11B1
SCHEMBL7918506 0.76 DRD2 (0.36) SLC6A4HSD11B1

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