SCHEMBL9247458

SCHEMBL9247458

O=C(OCC(F)(F)F)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.50
ADRB1 P08588 6/20 0.50
ADRB3 P13945 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL2003037 0.89 TSHR (0.55) L3MBTL1MAPK1NPC1TP53TSHR
SCHEMBL18785880 0.82 ADRB2 (0.46) ADRB2ADRB1ADRB3L3MBTL1MAPK1
SCHEMBL8567872 0.82 ALDH1A1 (0.59) L3MBTL1MAPK1NPC1TP53TSHR
SCHEMBL3342492 0.82 TDP1 (0.61) ADRB2ADRB1ADRB3L3MBTL1NPC1
SCHEMBL28150206 0.81 TSHR (0.52) ADRB2ADRB1ADRB3L3MBTL1NPC1
SCHEMBL9247962 0.81 ADRB2 (0.49) ADRB2ADRB1ADRB3L3MBTL1NPC1
SCHEMBL13609326 0.80 ADRB2 (0.52) ADRB2ADRB1ADRB3L3MBTL1MAPK1
SCHEMBL9242958 0.80 KMT2A (0.54) L3MBTL1MAPK1NPC1CES2CES1
SCHEMBL20475052 0.79 CES2 (0.54) ADRB2ADRB1ADRB3L3MBTL1MAPK1
SCHEMBL9246081 0.79 RAB9A (0.52) L3MBTL1NPC1CES2CES1HTT

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
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
EP-0355774-A2 Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS COMPANY LTD. (JP) 1990-02-28 EP disclosed