SCHEMBL1496824

SCHEMBL1496824

O=C(OCC(F)(F)F)c1ccc(C(=O)OCC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
HIF1A Q16665 1/20 0.55
ALDH1A1 P00352 4/20 0.47
JMJD6 Q6NYC1 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL7945129 0.92 ESR1 (0.58) MAPK1HIF1AALDH1A1LMNATDP1
SCHEMBL9244575 0.92 ADRB2 (0.49) MAPK1HIF1AALDH1A1JMJD6HTT
SCHEMBL9247387 0.90 GAA (0.49) MAPK1HIF1AALDH1A1JMJD6NPC1
SCHEMBL1434120 0.90 MAPK1 (0.71) MAPK1HIF1AALDH1A1JMJD6LMNA
SCHEMBL24628483 0.87 LMNA (0.58) MAPK1HIF1AALDH1A1LMNATDP1
SCHEMBL5794633 0.87 ALDH1A1 (0.53) MAPK1HIF1AALDH1A1JMJD6HTT
SCHEMBL17233760 0.87 CA1 (0.56) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL10442234 0.87 KMT2A (0.49) MAPK1HIF1AALDH1A1JMJD6HTT
SCHEMBL9799829 0.86 MAPK1 (0.47) MAPK1HIF1AALDH1A1JMJD6HTT
SCHEMBL5791194 0.86 L3MBTL1 (0.51) MAPK1HIF1AALDH1A1JMJD6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
EP-2473468-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. du Pont de Nemours and Company (US) 2012-07-11 EP disclosed
EP-2473472-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. du Pont de Nemours and Company (US) 2012-07-11 EP disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed
WO-2011028851-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 WO disclosed
WO-2011028852-A2 PROCESS FOR THE SYNTHESIS OF FLUORINATED ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-10 WO disclosed
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO disclosed
US-6261813-B1 ACYLATING PACLITAXEL WITH BIFUNCTIONAL ACYL DONOR USING HYDROLASE TO FORM ACTIVATED ACYL ESTER OR CARBONATE, THEN ACYLATING NUCLEOPHILE WITH ACTIVATED ESTER OR CARBONATE IN PRESENCE OF HYDROLASE; IMPROVED WATER SOLUBILITY ALBANY MOLECULAR RESEARCH, INC. 2001-07-17 US disclosed
US-5393902-A Reacting diester with lactam or salt of aminocarboxylic acid in alcohol solvent, recovering product LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1995-02-28 US disclosed