SCHEMBL8534980

SCHEMBL8534980

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CFTR P13569 1/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL8533007 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ESLC6A4SLC6A3MEN1
SCHEMBL8533005 0.80
SCHEMBL8535755 0.78 CYP3A4 (0.47) KDM4ESLC6A4SLC6A3MEN1KMT2A
SCHEMBL8532285 0.78 CYP3A4 (0.47) KDM4ESLC6A4SLC6A3MEN1KMT2A
SCHEMBL8529945 0.77 HSD11B1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8529941 0.77 HSD11B1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8531171 0.76 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8531175 0.76 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8531014 0.75 SLC6A3 (0.43) ALDH1A1SLC6A4SLC6A3LMNA
SCHEMBL8531012 0.75 SLC6A3 (0.43) ALDH1A1SLC6A4SLC6A3LMNA

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 2 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