SCHEMBL8098463

SCHEMBL8098463

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

nearest known ligand 0.38

Predicted protein targets (top 10)

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
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
NTMT1 Q9BV86 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL8099152 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRNTMT1
SCHEMBL8096918 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097385 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8098673 0.87 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097010 0.86 HPGD (0.37) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097643 0.85 MAPT (0.36) ALDH1A1MAPTHPGDTSHR
SCHEMBL8099202 0.84 L3MBTL1 (0.38) ALDH1A1MAPTHPGDTSHRCRBN
SCHEMBL8097587 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTSHR
SCHEMBL8103590 0.84 ALDH1A1 (0.38) 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