SCHEMBL7097410

SCHEMBL7097410

C=C(CCCCCNC(=O)Nc1cc(C)ccc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
KCNMA1 Q12791 3/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7099322 0.99 GAA (0.52) GAAKMT2APOLBKCNMA1HDAC3
SCHEMBL7097508 0.95 GAA (0.53) GAAKMT2APOLBKCNMA1MAPT
SCHEMBL7097167 0.90 GAA (0.52) GAAKMT2APOLBKCNMA1MAPT
SCHEMBL7098354 0.84 HDAC1 (0.50) HDAC3HDAC1CA12CA1CA2
SCHEMBL7096384 0.83 HDAC1 (0.49) KMT2APOLBHDAC3HDAC1EPHX1
SCHEMBL7094061 0.82 HDAC1 (0.51) HDAC3HDAC1CA12CA1CA2
SCHEMBL7093746 0.81 MARS1 (0.50) GAAKMT2APOLBHDAC3HDAC1
SCHEMBL7098035 0.79 EPHX2 (0.52) GAAKMT2AHDAC3HDAC1MAPT
SCHEMBL7098733 0.79 HDAC1 (0.52) HDAC3HDAC1CA12CA1CA2
SCHEMBL7097411 0.78 GAA (0.47) GAAKMT2APOLBKCNMA1MAPT

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