SCHEMBL7098401

SCHEMBL7098401

C=C(CCCNC(=O)Nc1cccc(O)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.55
EPHX2 P34913 2/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 8/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7094691 0.96 MARS1 (0.54) MARS1EPHX2KMT2AALDH1A1MEN1
SCHEMBL7094079 0.95 MARS1 (0.53) MARS1EPHX2KMT2AALDH1A1MEN1
SCHEMBL7097715 0.92 MARS1 (0.51) MARS1KMT2AALDH1A1MEN1LMNA
SCHEMBL8549833 0.86 EPHX1 (0.60) EPHX2KMT2AALDH1A1MEN1LMNA
SCHEMBL4942260 0.83 MAOA (0.47) KMT2AALDH1A1LMNAHTTEPHX1
SCHEMBL3245140 0.82 MARS1 (0.61) MARS1EPHX2KMT2AALDH1A1MEN1
SCHEMBL7097155 0.80 LMNA (0.51) KMT2AALDH1A1LMNAHTTEPHX1
SCHEMBL7096720 0.80 ALDH1A1 (0.50) EPHX2KMT2AALDH1A1MEN1LMNA
SCHEMBL6064818 0.79 EPHX1 (0.66) MARS1EPHX2ALDH1A1HTTSMN1; SMN2
SCHEMBL9007574 0.79 EPHX1 (0.62) EPHX2KMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737896-B1 Photosensitive composition and photosensitive planographic printing plate KODAK POLYCHROME GRAPHICS JP (JP) 2003-08-27 EP disclosed
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