SCHEMBL8097385

SCHEMBL8097385

CC(C)(C)NC(=O)OC1SC(c2cccc(I)c2)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TP53BP1 Q12888 1/20 0.31

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
SCHEMBL8097598 0.88 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8096918 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRSLC6A4
SCHEMBL8098463 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8099152 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8098673 0.87 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTSHRSLC6A2
SCHEMBL8097010 0.86 HPGD (0.37) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097455 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTSHR
SCHEMBL8090064 0.85 GUSB (0.43) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097643 0.85 MAPT (0.36) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097587 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed