SCHEMBL3471284

SCHEMBL3471284

CC(Cc1c(F)ccc(Br)c1Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.35
PPARG P37231 7/20 0.35
TNF P01375 2/20 0.34
APP P05067 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
STING1 Q86WV6 1/20 0.33
PPARD Q03181 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
SCHEMBL261693 0.76 AKR1B1 (0.44) FFAR4KDM4E
SCHEMBL7136191 0.75 APAF1 (0.41) PPARAPPARGALDH1A1HPGDL3MBTL1
SCHEMBL12713189 0.72 PPARA (0.43) PPARAPPARGALDH1A1L3MBTL1KDM4E
SCHEMBL18585398 0.71 TAAR1 (0.34) KDM4E
SCHEMBL31152890 0.71 CYP1A2 (0.33) KDM4E
SCHEMBL261259 0.69 TAAR1 (0.31)
SCHEMBL2482374 0.69 PPARA (0.48) PPARAPPARGALDH1A1L3MBTL1KDM4E
SCHEMBL9780682 0.68 AKR1B1 (0.52) ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL9780678 0.68 AKR1B1 (0.52) ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL30949557 0.68 CYP1A2 (0.33)

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-2254417-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 EP disclosed
WO-2009090401-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 WO disclosed