SCHEMBL9698449

SCHEMBL9698449

C=CCOc1cc(-n2c(C(F)(F)F)cc(=O)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 11/20 0.49
BCAT1 P54687 6/20 0.36
BCAT2 O15382 5/20 0.36
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32

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
SCHEMBL9698445 0.83 BCAT1 (0.54) PPOXBCAT1BCAT2
SCHEMBL9387652 0.81 PPOX (0.45) PPOXBCAT1BCAT2
SCHEMBL8543133 0.80 PPOX (0.46) PPOXBCAT1BCAT2HTR2CHTR2B
SCHEMBL9183771 0.78 PPOX (0.46) PPOXBCAT1BCAT2HTR2CHTR2B
SCHEMBL10579234 0.73 PPOX (0.40) PPOXBCAT1BCAT2
SCHEMBL10530095 0.71 PPOX (0.44) PPOXBCAT1BCAT2
SCHEMBL7888891 0.70 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL9711040 0.70 PPOX (0.47) PPOXBCAT1BCAT2HTR2CHTR2B
SCHEMBL8578733 0.70 AR (0.34) BCAT1BCAT2
SCHEMBL8076304 0.70 PPOX (0.71) PPOX

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
US-5134144-A Insecticides, miticides or nematocides UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-07-28 US disclosed