SCHEMBL13615349

SCHEMBL13615349

C/C=C(/C(=O)NCCc1ccccc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL4109741 0.87 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13860786 0.82 SMN1; SMN2 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12220314 0.82 MAPT (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12588767 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL158220 0.77 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL28335799 0.77 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18281697 0.75 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL22412530 0.75 PLAAT5 (0.75) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL25008046 0.74 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL6482686 0.74 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116585-A1 ULTRAVIOLET ABSORBER COMPOSITION Fujifilm Corporation (JP) 2009-11-11 EP disclosed