SCHEMBL7584370

SCHEMBL7584370

CC(C)COc1nc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 2/20 0.39
PTGER1 P34995 1/20 0.39
SCN9A Q15858 7/20 0.38
SCN5A Q14524 3/20 0.38
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
PTGS1 P23219 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAP3K7 O43318 2/20 0.37
TAB1 Q15750 2/20 0.37
NR1H4 Q96RI1 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL11552766 0.87 XDH (0.46) XDHTSHRTDP1L3MBTL1DHODH
SCHEMBL25583048 0.79 TDP1 (0.45) TSHRTDP1L3MBTL1SCN9ASCN5A
SCHEMBL11551863 0.78 PTGER1 (0.43) XDHDHODHPTGER1SCN9ASCN5A
SCHEMBL11552415 0.73 POLB (0.43) XDHTSHRTDP1L3MBTL1DHODH
SCHEMBL6776691 0.72 TP53 (0.45) XDHTSHRDHODHSCN9ASCN5A
SCHEMBL4948794 0.72 SCN9A (0.52) XDHSCN9ASCN5ACYP3A4CYP2C9
SCHEMBL8337216 0.71 KEAP1 (0.41) TSHRDHODHTP53
SCHEMBL565584 0.70 CNR1 (0.40) TDP1
SCHEMBL7587077 0.70 MEN1 (0.55) TDP1L3MBTL1DHODHCYP2C9
SCHEMBL9197144 0.70 TSHR (0.47) XDHTSHRMYCNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246802-A1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2002-10-09 EP disclosed
WO-2001051468-A1 4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-19 WO disclosed