SCHEMBL7844546

SCHEMBL7844546

CCOC(=O)C(OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl)=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 11/20 0.41
BCAT2 O15382 9/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7839984 0.82 CYP4F2 (0.33) MAPTHSD17B10ALDH1A1TSHRTDP1
SCHEMBL9587737 0.82 BCAT1 (0.42) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL9423296 0.81 BCAT1 (0.46) BCAT1BCAT2ALDH1A1SMN1; SMN2TDP1
SCHEMBL9423250 0.79 BCAT1 (0.48) BCAT1BCAT2ALDH1A1SMN1; SMN2TDP1
SCHEMBL7973578 0.79 BCAT1 (0.43) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL9581685 0.78 BCAT1 (0.46) BCAT1BCAT2ALDH1A1SMN1; SMN2TDP1
SCHEMBL6557384 0.78 BCAT1 (0.45) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL7930382 0.77 BCAT1 (0.42) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL7930378 0.77 BCAT1 (0.42) BCAT1BCAT2MAPTHSD17B10ALDH1A1
SCHEMBL6557245 0.77 CA12 (0.46) BCAT1BCAT2MAPTHSD17B10ALDH1A1

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-1148056-A1 Herbicidal benzoyloxy carboxylates and carboxamides Dow AgroSciences LLC (US) 2001-10-24 EP disclosed
US-6251829-B1 PREEMERGENT AND POSTEMERGENT HERBICIDES ROHM AND HAAS COMPANY 2001-06-26 US disclosed