SCHEMBL8069138

SCHEMBL8069138

CC(C)COc1ccccc1-c1ccc(C(N)=O)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
XDH P47989 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
BRD4 O60885 2/20 0.41
PDE5A O76074 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
PLG P00747 3/20 0.39
PLAU P00749 3/20 0.39
PLAT P00750 3/20 0.39
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL7645797 0.86 XDH (0.44) HTTXDHSIRT2BRD4F2
SCHEMBL7646422 0.86 GUSB (0.44) BRD4PDE5AALDH1A1KDM4EMAPT
SCHEMBL149188 0.84 KMT2A (0.48) HTTBRD4PDE5APDE4APDE4B
SCHEMBL7645372 0.83 KMT2A (0.53) HTTBRD4PDE5APDE4APDE4B
SCHEMBL11624915 0.81 PDE5A (0.46) HTTXDHSIRT2PDE5APDE4A
SCHEMBL7411482 0.81 KDM4E (0.44) BRD4GCGRMAPK14KDM4EPARP1
SCHEMBL7646746 0.80 PDE5A (0.41) SIRT2BRD4PDE5APDE4APDE4B
SCHEMBL8069141 0.78 GAA (0.51) HTTXDHSIRT2ALDH1A1KDM4E
SCHEMBL27725562 0.77 HTT (0.54) HTTXDHSIRT2PDE5APDE4A
SCHEMBL7647019 0.77 XDH (0.45) XDHPDE5APDE4APDE4BPDE4C

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-0347027-B1 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE FRENCH LAB (GB) 1994-08-03 EP claimed
US-6046216-A USEFUL TO INHIBIT THE GROWTH OF NEOPLASTIC CELLS. CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5254571-A Bronchodilators, antiallergens SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1993-10-19 US disclosed