SCHEMBL4339860

SCHEMBL4339860

C=C(C)C(=O)OC(COc1ccc(C(=O)c2ccccc2)c(O)c1)COc1ccc(C(=O)c2ccccc2)c(O)c1.C=C(C)C(=O)OCCOCCOCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL2018313 0.89 HPGD (0.54) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL4607568 0.86 HPGD (0.54) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL29384880 0.82 HPGD (0.59) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL93397 0.82 HPGD (0.59) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL4339862 0.82 HPGD (0.48) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL3359451 0.80 HPGD (0.53) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL4194204 0.80 HPGD (0.58) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL38659958 0.80 HPGD (0.58) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL29384629 0.80 HPGD (0.58) HPGDALDH1A1LMNAMAPK1HTT
SCHEMBL93611 0.80 HPGD (0.58) HPGDALDH1A1LMNAMAPK1HTT

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
EP-1928979-B1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2009-03-04 EP disclosed
EP-1764405-A1 Functionalized photoreactive compounds Rolic AG (CH) 2007-03-21 EP disclosed