SCHEMBL9250812

SCHEMBL9250812

O=C(OCC(F)(F)F)c1cc(F)c(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SERPINE1 P05121 5/20 0.46
JMJD6 Q6NYC1 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL9246003 0.89 SLC6A3 (0.41) CES2CES1SERPINE1JMJD6NPC1
SCHEMBL18786032 0.82 SERPINE1 (0.41) CES2CES1SERPINE1JMJD6MAPK1
SCHEMBL19934573 0.81 MAPK1 (0.47) CES2CES1SERPINE1MAPTSMN1; SMN2
SCHEMBL1496824 0.78 MAPK1 (0.55) CES2CES1JMJD6NPC1GAA
SCHEMBL1999331 0.77 CA12 (0.60) CES2CES1NPC1MAPTCA12
SCHEMBL9248628 0.76 SLC6A3 (0.45) SERPINE1JMJD6NPC1GAAMAPT
SCHEMBL1996803 0.76 MAPT (0.58) CES2JMJD6NPC1GAAMAPT
SCHEMBL9244575 0.76 ADRB2 (0.49) CES2CES1JMJD6NPC1MAPT
SCHEMBL25478653 0.75 ESR1 (0.57) SERPINE1JMJD6NPC1GAAMAPT
SCHEMBL7797389 0.75 ELANE (0.47) SERPINE1JMJD6NPC1GAAMAPT

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-0355774-B1 Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
US-4985588-A Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS COMPANY LTD. (JP) 1991-01-15 US disclosed