SCHEMBL28980583

SCHEMBL28980583

[CH2]/C(F)=C/c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RELA Q04206 1/20 0.48
PTGS1 P23219 1/20 0.47
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
NQO2 P16083 2/20 0.43
DHODH Q02127 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10049312 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL29639038 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1RELAPTGS1
Benzene SCHEMBL29278546 0.82 RELA (0.55) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL31172199 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL28640754 0.77 RELA (0.50) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL28640757 0.77 RELA (0.50) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL6960044 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL6960053 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL6960049 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1RELAPTGS1
SCHEMBL6954882 0.76 RELA (0.48) ALDH1A1KDM4EL3MBTL1RELAPTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894556-A Synthesis method of beta-fluoroallylphosphine 南通大学 2023-04-04 CN disclosed