SCHEMBL7624344

SCHEMBL7624344

CC(=O)OF.O=[N+]([O-])c1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HIF1A Q16665 1/20 0.51
HTT P42858 4/20 0.45
THRB P10828 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 6/20 0.44
KMT2A Q03164 4/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL28252591 0.84 ALDH1A1 (0.69) ALDH1A1HIF1AMAPK1MAPTKMT2A
SCHEMBL85604 0.84 ALDH1A1 (0.69) ALDH1A1HIF1AMAPK1MAPTKMT2A
SCHEMBL29379039 0.84 ALDH1A1 (0.69) ALDH1A1HIF1AMAPK1MAPTKMT2A
Bicarbonate SCHEMBL28637012 0.82 ALDH1A1 (0.58) ALDH1A1HIF1AHTTTHRBGAA
Hydrochloric Acid SCHEMBL30306150 0.82 ALDH1A1 (0.67) ALDH1A1HIF1AMAPK1MAPTKMT2A
SCHEMBL27621933 0.79 ALDH1A1 (0.58) ALDH1A1HIF1AHTTTHRBGAA
SCHEMBL4379631 0.79 RECQL (0.54) ALDH1A1HIF1AHTTTHRBL3MBTL1
SCHEMBL5505279 0.79 CYP4F2 (0.54) ALDH1A1HIF1AHTTTHRBGAA
SCHEMBL1360146 0.76 MAPT (0.56) ALDH1A1HIF1AHTTTHRBGAA
SCHEMBL2832 0.76 ALDH1A1 (0.55) ALDH1A1HIF1AHTTTHRBGAA

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-1144459-B1 CROSS-LINKED HYALURONIC ACIDS AND MEDICAL USES THEREOF AQUISITIO S P A (IT) 2002-10-02 EP disclosed
EP-1144459-A2 CROSS-LINKED HYALURONIC ACIDS AND MEDICAL USES THEREOF Aquisitio S.p.A. (IT) 2001-10-17 EP disclosed
WO-2000027887-A2 CROSS-LINKED HYALURONIC ACIDS AND MEDICAL USES THEREOF AQUISITIO S.P.A. (IT) 2000-05-18 WO disclosed