SCHEMBL8534286

SCHEMBL8534286

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
ALDH1A1 P00352 3/20 0.36
HSD11B1 P28845 4/20 0.35
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SLC6A3 Q01959 1/20 0.32
CCR2 P41597 1/20 0.32
POLB P06746 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
SCHEMBL8534284 1.00 OPRM1 (0.40) OPRM1ALDH1A1HSD11B1LMNAMAPT
SCHEMBL8535768 0.88 OPRM1 (0.40) OPRM1ALDH1A1LMNAMAPTDRD2
SCHEMBL8535765 0.88 OPRM1 (0.40) OPRM1ALDH1A1LMNAMAPTDRD2
SCHEMBL8531154 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2ACYP1A2
SCHEMBL8531152 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2ACYP1A2
SCHEMBL8535184 0.83 SLC6A4 (0.41) SMN1; SMN2SLC6A3POLB
SCHEMBL8531477 0.83 SLC6A4 (0.39) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL8531475 0.83 SLC6A4 (0.39) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL8535182 0.83 SLC6A4 (0.41) SMN1; SMN2SLC6A3POLB
SCHEMBL8532643 0.82 HCAR3 (0.34) ALDH1A1MAPTCYP2C9CYP2C19NPSR1

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