SCHEMBL3718339

SCHEMBL3718339

CCc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1C1C(C)(C)C(=O)OC(=O)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
SCN9A Q15858 10/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
FFAR1 O14842 1/20 0.41
RAB9A P51151 1/20 0.41
LIPE Q05469 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL406549 0.82 MAPK1 (0.51) MAPK1THRBMAPTNPSR1LMNA
SCHEMBL3713558 0.74 CYP1A2 (0.42) MAPTNPSR1ALDH1A1L3MBTL1LMNA
SCHEMBL3711750 0.72 HTR2A (0.40) MAPTALDH1A1HPGD
SCHEMBL16519819 0.72 MAPK1 (0.74) MAPK1THRBALDH1A1POLBL3MBTL1
SCHEMBL10192850 0.72 MAPK1 (0.46) MAPK1THRBLMNASCN9ASCN10A
SCHEMBL10382418 0.69 MAPK1 (0.53) MAPK1THRBMAPTNPSR1LMNA
SCHEMBL10195117 0.69 MAPK1 (0.45) MAPK1THRBMAPTNPSR1LMNA
SCHEMBL9108246 0.69 LMNA (0.63) MAPK1THRBMAPTNPSR1LMNA
SCHEMBL11351938 0.68 MAPT (0.69) MAPK1THRBMAPTNPSR1LMNA
SCHEMBL9255996 0.68 MAPK1 (0.74) MAPK1THRBMAPTNPSR1L3MBTL1

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-2393796-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089211-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 WO disclosed