SCHEMBL9007574

SCHEMBL9007574

C=C(CCCNC(=O)NCCC)C(=O)O.C=C(CCCNC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.62
ALDH1A1 P00352 3/20 0.62
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.50
GHSR Q92847 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EPHX2 P34913 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8549833 0.92 EPHX1 (0.60) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL8549462 0.84 EPHX1 (0.55) EPHX1EPHX2SMN1; SMN2
SCHEMBL2314772 0.83 EPHX1 (0.55) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL2451040 0.83 EPHX1 (0.75) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL8550840 0.82 ALDH1A1 (0.60) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL4942260 0.81 MAOA (0.47) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL4604785 0.80 EPHX1 (0.87) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL8550250 0.80 EPHX2 (0.50) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL7098401 0.79 MARS1 (0.55) EPHX1ALDH1A1HTTLMNAKDM4E
SCHEMBL7722626 0.78 EPHX1 (0.97) EPHX1ALDH1A1HTTLMNAKDM4E

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
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed