SCHEMBL8103590

SCHEMBL8103590

CC(C)(C)NC(=O)OC1SC(c2cccc(OC(F)(F)F)c2)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

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
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CSNK1E P49674 3/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
DGAT2 Q96PD7 2/20 0.34
MGLL Q99685 2/20 0.34
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 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
SCHEMBL8098680 0.92 LMNA (0.38) ALDH1A1MAPTHPGDTSHRCYP1A2
SCHEMBL8097455 0.89 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTSHRCYP1A2
SCHEMBL8097587 0.88 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTSHRCSNK1E
SCHEMBL8090064 0.86 GUSB (0.43) ALDH1A1MAPTHPGDTSHR
SCHEMBL8099152 0.86 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRCYP2C19
SCHEMBL8097598 0.85 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHRCYP3A4
SCHEMBL8098673 0.84 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTSHRCYP2C19
SCHEMBL8098463 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097385 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDTSHR
SCHEMBL8096918 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