SCHEMBL8531012

SCHEMBL8531012

OC/C(F)=C\C1(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.43
SLC6A4 P31645 7/20 0.43
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8531014 1.00 SLC6A3 (0.43) SLC6A3SLC6A4CYP3A4CYP2D6LMNA
SCHEMBL8535755 0.81 CYP3A4 (0.47) SLC6A3SLC6A4CYP3A4CYP2D6CYP1A2
SCHEMBL8532285 0.81 CYP3A4 (0.47) SLC6A3SLC6A4CYP3A4CYP2D6CYP1A2
SCHEMBL9585481 0.79 SLC6A3 (0.44) SLC6A3SLC6A4CYP3A4LMNACYP1A2
SCHEMBL8531125 0.76 FAAH (0.41) ALDH1A1
SCHEMBL8531130 0.76 FAAH (0.41) ALDH1A1
SCHEMBL8534980 0.75 ALDH1A1 (0.43) SLC6A3SLC6A4LMNAALDH1A1
SCHEMBL8533007 0.75 ALDH1A1 (0.43) SLC6A3SLC6A4LMNAALDH1A1
SCHEMBL8530639 0.73 SLC6A3 (0.36) SLC6A3SLC6A4CYP3A4CYP2C19
SCHEMBL8530637 0.73 SLC6A3 (0.36) SLC6A3SLC6A4CYP3A4CYP2C19

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