SCHEMBL9823873

SCHEMBL9823873

Fc1cc(C(F)(F)F)cnc1Oc1cc(F)c(OCc2ccccc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 1/20 0.37
LIPE Q05469 2/20 0.37
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4284174 0.84 MRGPRX4 (0.52) MRGPRX4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL9823893 0.74 RAB9A (0.47) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9421429 0.74 SMN1; SMN2 (0.65) MRGPRX4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL15729326 0.73 MEN1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8431628 0.73 MRGPRX4 (0.52) MRGPRX4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4160021 0.73 MRGPRX4 (0.52) MRGPRX4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL9587283 0.73 RAB9A (0.52) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10846099 0.73 RAB9A (0.74) MRGPRX4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL7916623 0.72 MRGPRX4 (0.51) MRGPRX4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL6743790 0.72 MRGPRX4 (0.71) MRGPRX4ALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142328-B1 FLUOROPHENOXY COMPOUNDS, HERBICIDAL COMPOSITIONS AND METHODS THE DOW CHEMICAL COMPANY (US) 1991-04-17 EP disclosed
US-4888050-A GRASS CONTROL THE DOW CHEMICAL COMPANY (US) 1989-12-19 US disclosed
US-4750931-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-14 US disclosed
EP-0142328-A2 Fluorophenoxy compounds, herbicidal compositions and methods THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP disclosed