SCHEMBL8337216

SCHEMBL8337216

CC(C)c1nc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.39
SORT1 Q99523 3/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
DHODH Q02127 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
GLP1R P43220 2/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL28246835 0.81 KDM4E (0.39) KEAP1NFE2L2PPARAPPARGALDH1A1
SCHEMBL29406550 0.77 KEAP1 (0.64) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2
SCHEMBL2566963 0.77 KEAP1 (0.64) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2
SCHEMBL473918 0.76 ALDH1A1 (0.47) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2
SCHEMBL10873823 0.75 KEAP1 (0.62) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10552257 0.75 KEAP1 (0.62) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2
SCHEMBL27699425 0.73 FABP3 (0.51) PPARAPPARGALDH1A1SMN1; SMN2FABP3
SCHEMBL7540414 0.73 KEAP1 (0.46) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2
SCHEMBL22666874 0.72 SLC9A1 (0.46) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2
SCHEMBL29795353 0.72 SLC9A1 (0.46) KEAP1NFE2L2SORT1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968875-A FUNGICIDES FOR PLANTS DOW AGROSCIENCES LLC (US) 1999-10-19 US disclosed