SCHEMBL17797232

SCHEMBL17797232

COc1c(Cl)cc(F)c(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.34
ACLY P53396 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABL1 P00519 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL17797222 0.93 PYGL (0.35) PYGLACLYPIK3R1PIK3CACYP1A2
SCHEMBL2470016 0.93 PYGL (0.35) PYGLACLYPIK3R1PIK3CACYP1A2
SCHEMBL17797257 0.91 PIK3R1 (0.33) PYGLPIK3R1PIK3CACYP1A2ALDH1A1
SCHEMBL17797234 0.90 RORC (0.37) CYP1A2ALDH1A1HPGDKDM4ENPC1
SCHEMBL17797201 0.90 PIK3R1 (0.33) PIK3R1PIK3CACYP1A2HSD17B10ADORA3
SCHEMBL17797196 0.87 ALDH1A1 (0.33) PYGLALDH1A1HPGDKDM4ENPC1
SCHEMBL17797199 0.87 CYP1A2 (0.34) PYGLACLYPIK3R1PIK3CACYP1A2
SCHEMBL17797245 0.87 ALDH1A1 (0.35) PIK3R1PIK3CACYP1A2ALDH1A1HPGD
SCHEMBL3840578 0.86 ACLY (0.36) PYGLACLYCYP1A2ALDH1A1HPGD
SCHEMBL17797238 0.85 ALDH1A1 (0.32) PYGLALDH1A1HPGDKDM4ENPC1

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
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed