SCHEMBL7096383

SCHEMBL7096383

C/C(=C\CCCCNC(=O)Nc1ccccc1O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.45
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41

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
SCHEMBL7096385 1.00 MARS1 (0.47) MARS1KMT2APOLBEPHX1ALDH1A1
SCHEMBL7097491 0.91 GAA (0.46) MARS1KMT2APOLBEPHX1ALDH1A1
SCHEMBL7097494 0.91 GAA (0.46) MARS1KMT2APOLBEPHX1ALDH1A1
SCHEMBL7099944 0.88 TRPV1 (0.44) MARS1KMT2APOLBEPHX1ALDH1A1
SCHEMBL7099946 0.88 TRPV1 (0.44) MARS1KMT2APOLBEPHX1ALDH1A1
SCHEMBL7098351 0.86 HDAC1 (0.53) KDM4EHDAC3HDAC1
SCHEMBL7098355 0.86 HDAC1 (0.53) KDM4EHDAC3HDAC1
SCHEMBL7097409 0.84 GAA (0.47) KMT2APOLBHTTGAAMAPT
SCHEMBL7097411 0.84 GAA (0.47) KMT2APOLBHTTGAAMAPT
SCHEMBL7096379 0.80 EPHX1 (0.48) KMT2AEPHX1ALDH1A1HTTKDM4E

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