SCHEMBL8550250

SCHEMBL8550250

C=C(CCCNC(=O)Nc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
NAMPT P43490 1/20 0.48
EPHX1 P07099 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 3/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
CNR1 P21554 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
KMT2A Q03164 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4942260 0.87 MAOA (0.47) EPHX1KDM4EHDAC1LMNAALDH1A1
SCHEMBL8549833 0.87 EPHX1 (0.60) EPHX2EPHX1KDM4EHDAC1HDAC2
SCHEMBL8550840 0.86 ALDH1A1 (0.60) EPHX1KDM4ELMNAALDH1A1HTT
SCHEMBL7097155 0.83 LMNA (0.51) EPHX1KDM4EHDAC1HDAC2LMNA
SCHEMBL8549984 0.82 EPHX1 (0.43) EPHX2EPHX1KDM4EHDAC1HDAC2
SCHEMBL8549863 0.82 GHSR (0.49) EPHX1KDM4EHDAC1LMNAALDH1A1
SCHEMBL15914264 0.82 CNR1 (0.53) NAMPTEPHX1KDM4ELMNAALDH1A1
SCHEMBL7096381 0.82 EPHX1 (0.50) EPHX1KDM4EHDAC1HDAC2LMNA
SCHEMBL15913775 0.81 CA2 (0.61) KDM4EALDH1A1KMT2AMEN1
SCHEMBL9007574 0.80 EPHX1 (0.62) EPHX2EPHX1KDM4EHDAC1HDAC2

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-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed