SCHEMBL8535755

SCHEMBL8535755

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.46
SLC6A3 Q01959 8/20 0.40
SLC6A4 P31645 7/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL8532285 1.00 CYP3A4 (0.47) CYP3A4HPGDSLC6A3SLC6A4MEN1
SCHEMBL8534032 0.82 RARB (0.31)
SCHEMBL8531012 0.81 SLC6A3 (0.43) CYP3A4SLC6A3SLC6A4CYP1A2CYP2D6
SCHEMBL8531014 0.81 SLC6A3 (0.43) CYP3A4SLC6A3SLC6A4CYP1A2CYP2D6
SCHEMBL8534286 0.80 OPRM1 (0.40) SLC6A3MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL8534284 0.80 OPRM1 (0.40) SLC6A3MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL8535765 0.79 OPRM1 (0.40) HPGDSMN1; SMN2L3MBTL1GAA
SCHEMBL8535768 0.79 OPRM1 (0.40) HPGDSMN1; SMN2L3MBTL1GAA
SCHEMBL8534980 0.78 ALDH1A1 (0.43) HPGDSLC6A3SLC6A4MEN1KMT2A
SCHEMBL8533007 0.78 ALDH1A1 (0.43) HPGDSLC6A3SLC6A4MEN1KMT2A

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