SCHEMBL8716764

SCHEMBL8716764

O=C/C=C/Cc1ccc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
TRPA1 O75762 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8716769 1.00 MAOA (0.33) MAOADRD2DRD4DRD3TRPA1
SCHEMBL271964 0.79
Hydrochloric Acid SCHEMBL21834078 0.77
SCHEMBL3501279 0.75
SCHEMBL7908920 0.75
SCHEMBL10732433 0.75
SCHEMBL2359716 0.75
SCHEMBL2360010 0.75
SCHEMBL6156887 0.75
SCHEMBL9865522 0.73 MAOA (0.37) MAOADRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541578-B1 POLYMERISABLE PORPHYRINS UNIV AUSTRALIAN (AU) 1998-10-14 EP disclosed
EP-0541578-A4 POLYMERISABLE PORPHYRINS MEMTEC LTD (AU) 1996-08-07 EP disclosed
US-5360880-A Reacting pyrrole with unsaturated aldehyde THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1994-11-01 US disclosed
EP-0541578-A1 POLYMERISABLE PORPHYRINS MEMTEC LIMITED (AU) 1993-05-19 EP disclosed
WO-1992001007-A1 POLYMERISABLE PORPHYRINS MEMTEC LIMITED (AU) 1992-01-23 WO disclosed