SCHEMBL6581096

SCHEMBL6581096

COc1cc(C=CC(=O)Nc2ccc(C(=O)O)c(N(C)C(=O)COCC=C(C)CCC=C(C)C)c2)cc(OC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.44
MTNR1A P48039 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALOX5 P09917 3/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
KDM1A O60341 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL6581093 1.00 PTGES (0.44) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL6581090 1.00 PTGES (0.44) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL7964637 0.93 PTGES (0.42) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL7964629 0.93 PTGES (0.42) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL7964631 0.93 PTGES (0.42) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL6577205 0.83 ALOX5 (0.44) ALOX5BCHEACHEKDM1AMEN1
SCHEMBL6577201 0.83 ALOX5 (0.44) ALOX5BCHEACHEKDM1AMEN1
SCHEMBL6581043 0.80 BCHE (0.44) BCHEACHEMEN1GAAKMT2A
SCHEMBL6581046 0.80 BCHE (0.44) BCHEACHEMEN1GAAKMT2A
SCHEMBL7974960 0.76 ALDH1A1 (0.47) ALOX5BCHEACHEKDM1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed