SCHEMBL9804347

SCHEMBL9804347

FC(F)(F)C(CCCc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
FDFT1 P37268 9/20 0.42
CALM1 P0DP23 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
FAAH O00519 1/20 0.39
GPR55 Q9Y2T6 2/20 0.38
TRPA1 O75762 1/20 0.38
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.38
CNR1 P21554 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9628951 0.86 MAOA (0.39) MAOBMAOACALM1HTR2AHTR2C
SCHEMBL9804441 0.84 FDFT1 (0.43) FDFT1
SCHEMBL9804425 0.84 FDFT1 (0.41) FDFT1
SCHEMBL9560453 0.83 MAOB (0.42) MAOBMAOAFAAHKMT2AALDH1A1
SCHEMBL7930475 0.83 FDFT1 (0.52) FDFT1
SCHEMBL10649467 0.81 MAOB (0.45) MAOBMAOAFDFT1CALM1HTR2A
SCHEMBL10651843 0.81 MAOB (0.45) MAOBMAOAFDFT1CALM1HTR2A
SCHEMBL9804456 0.81 FDFT1 (0.54) FDFT1
SCHEMBL9804452 0.81 CETP (0.49) FDFT1
SCHEMBL9804343 0.80 FDFT1 (0.58) FDFT1

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-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed