SCHEMBL9861827

SCHEMBL9861827

FC(F)(F)Oc1ccc(C2(C(F)(F)F)CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.44
SLC6A3 Q01959 9/20 0.43
SLC6A2 P23975 2/20 0.43
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL4982095 0.81 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2PIM1PIM2
SCHEMBL9561250 0.77 NQO1 (0.47) MAPT
SCHEMBL9637914 0.77 NQO1 (0.47) MAPT
SCHEMBL2173955 0.76 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2NR1I2
SCHEMBL9561216 0.75 MAOB (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL9560749 0.75 MAOA (0.39) SLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL9560864 0.75 TAAR1 (0.36)
SCHEMBL20087810 0.74 MAOB (0.38) SLC6A3SLC6A2
SCHEMBL254957 0.72 MAPT (0.56) PIM1PIM2MAPTEPHX2NISCH
SCHEMBL9560600 0.72 NPC1 (0.40) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068461-A 1,1,1-trifluoro-2-(4-alkoxyphenyl)prop-2-ene compounds for aphids, mites and other insects IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-26 US disclosed
US-4937388-A Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-26 US disclosed
EP-0273549-A1 Insecticidal thioethers and derivatives thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-06 EP disclosed