SCHEMBL8098673

SCHEMBL8098673

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
SLC6A3 Q01959 5/20 0.33
TP53 P04637 4/20 0.33
RIPK1 Q13546 1/20 0.33
MDM2 Q00987 3/20 0.33
SLC6A2 P23975 4/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP2C19 P33261 1/20 0.33

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) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8098463 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8099152 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRHTT
SCHEMBL8096918 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRHTT
SCHEMBL8097385 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRSLC6A3
SCHEMBL8097010 0.86 HPGD (0.37) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL8097455 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8097643 0.85 MAPT (0.36) ALDH1A1MAPTHPGDTSHRTP53
SCHEMBL8090064 0.85 GUSB (0.43) ALDH1A1MAPTHPGDTSHRHTT
SCHEMBL8090516 0.84 HPGD (0.54) ALDH1A1MAPTHPGDTSHRGAA

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