SCHEMBL5705709

SCHEMBL5705709

C=C(C)C(=O)OCCCCNC(=O)Nc1cccc(-c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GOT1 P17174 1/20 0.38
FOLH1 Q04609 1/20 0.38
LMNA P02545 1/20 0.37
EPHX1 P07099 3/20 0.37
EPHX2 P34913 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
SCHEMBL1735931 0.83 MARS1 (0.46) KMT2AALDH1A1POLBHTTAPEX1
SCHEMBL3251714 0.83 GOT1 (0.47) HTR1AADRA2ADRD2DRD1DRD4
SCHEMBL3249553 0.81 HDAC1 (0.51) KDM4E
SCHEMBL4932795 0.80 EPHX2 (0.42) KMT2AALDH1A1POLBHTTAPEX1
SCHEMBL3246727 0.80 ALDH1A1 (0.47) KMT2AALDH1A1POLBHTTAPEX1
SCHEMBL26662008 0.79 EPHX1 (0.60) KMT2AALDH1A1POLBHTTAPEX1
SCHEMBL29315590 0.77 HDAC3 (0.50) DRD3KMT2AALDH1A1POLBHTT
SCHEMBL26661999 0.76 ALDH1A1 (0.56) KMT2AALDH1A1POLBHTTAPEX1
SCHEMBL29315575 0.76 SOAT1 (0.62) KMT2AALDH1A1HTTTDP1LMNA
SCHEMBL4935391 0.75 EPHX1 (0.43) KMT2AALDH1A1POLBGOT1LMNA

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-1705004-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2013-09-25 EP disclosed
EP-1705004-A1 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2006-09-27 EP disclosed