SCHEMBL7097409

SCHEMBL7097409

C/C(=C\CCCCNC(=O)Nc1cc(C)ccc1O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
KMT2A Q03164 5/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
KCNMA1 Q12791 3/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MEN1 O00255 3/20 0.40
HTT P42858 1/20 0.39
BACE1 P56817 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7097411 1.00 GAA (0.47) GAAKMT2APOLBSMN1; SMN2MAPT
SCHEMBL7097507 0.92 GAA (0.48) GAAKMT2APOLBSMN1; SMN2MAPT
SCHEMBL7097509 0.92 GAA (0.48) GAAKMT2APOLBSMN1; SMN2MAPT
SCHEMBL7098355 0.85 HDAC1 (0.53) CA12CA1CA2CA9
SCHEMBL7098351 0.85 HDAC1 (0.53) CA12CA1CA2CA9
SCHEMBL7096383 0.84 MARS1 (0.47) GAAKMT2APOLBMAPTMEN1
SCHEMBL7096385 0.84 MARS1 (0.47) GAAKMT2APOLBMAPTMEN1
SCHEMBL7098036 0.79 EPHX2 (0.48) GAAKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL7098030 0.79 EPHX2 (0.48) GAAKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL7099322 0.79 GAA (0.52) GAAKMT2APOLBSMN1; SMN2MAPT

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