SCHEMBL8722191

SCHEMBL8722191

CCNCC(=O)NC(=O)/C=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
EGFR P00533 5/20 0.51
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HAO1 Q9UJM8 1/20 0.50

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
SCHEMBL7654779 0.84 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6971897 0.83 TDP1 (0.65) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7661457 0.81 KMT2A (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4029206 0.79 HDAC2 (0.76) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29060766 0.79 HDAC2 (0.76) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7662674 0.78 HDAC2 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL28879066 0.78 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL975479 0.78 KMT2A (0.69) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7668482 0.78 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL975477 0.78 KMT2A (0.69) HDAC3HDAC4HDAC1HDAC2HDAC8

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-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed