SCHEMBL8617765

SCHEMBL8617765

CCCCN(c1ccc(C=CC(=O)c2ccc(OC)cc2)cc1)c1ccc(C=CC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.67
F3 P13726 2/20 0.66
MAPT P10636 4/20 0.60
MAOA P21397 3/20 0.60
XDH P47989 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
P4HB P07237 1/20 0.60
CALM1 P0DP23 1/20 0.60
RAB9A P51151 1/20 0.60
BCHE P06276 4/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
CYP1B1 Q16678 3/20 0.58
HSPD1 P10809 1/20 0.58
TNFRSF1A P19438 1/20 0.58
HSPE1 P61604 1/20 0.58
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL8614682 0.95 MAOB (0.64) MAOBF3MAPTMAOAXDH
SCHEMBL5915693 0.83 F3 (0.63) MAOBF3MAPTMAOAXDH
SCHEMBL5915464 0.83 F3 (0.63) MAOBF3MAPTMAOAXDH
SCHEMBL5915461 0.83 F3 (0.63) MAOBF3MAPTMAOAXDH
SCHEMBL11140136 0.82 MAOB (0.73) MAOBF3MAPTMAOAXDH
SCHEMBL11523409 0.82 MAOB (0.73) MAOBF3MAPTMAOAXDH
SCHEMBL6231825 0.82 MAOB (0.73) MAOBF3MAPTMAOAXDH
SCHEMBL11522608 0.82 MAOB (0.73) MAOBF3MAPTMAOAXDH
4,4'-Dimethoxychalcone SCHEMBL978243 0.81 F3 (1.00) MAOBF3MAPTMAOAXDH
4,4'-Dimethoxychalcone SCHEMBL978242 0.81 F3 (1.00) MAOBF3MAPTMAOAXDH

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-0561562-B1 Heat-sensitive or pressure-sensitive recording material WIGGINS TEAPE GROUP LTD (GB) 1998-05-06 EP disclosed
US-5364830-A Heat or pressure sensitive elements THE WIGGINS TEAPE GROUP LIMITED (GB) 1994-11-15 US disclosed
EP-0561562-A1 Heat-sensitive or pressure-sensitive recording material The Wiggins Teape Group Limited (GB) 1993-09-22 EP disclosed