SCHEMBL1496822

SCHEMBL1496822

O=C(O)c1ccc(C(=O)O)c(OCC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.55
HNF4A P41235 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
PYGL P06737 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43

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
SCHEMBL3542182 0.87 L3MBTL1 (0.55) RXRAHNF4AL3MBTL1PYGLKDM4E
SCHEMBL1496817 0.85 NPSR1 (0.51) RXRAHNF4AL3MBTL1PYGLKDM4E
SCHEMBL312800 0.84 L3MBTL1 (0.53) RXRAHNF4AL3MBTL1PYGLKDM4E
SCHEMBL7345021 0.84 KDM4E (0.48) RXRAHNF4AL3MBTL1KDM4EALDH1A1
SCHEMBL3784235 0.84 KDM4E (0.63) RXRAHNF4AKDM4EALDH1A1CYP1A2
SCHEMBL1487907 0.83 KDM4E (0.51) RXRAHNF4AL3MBTL1KDM4EALDH1A1
SCHEMBL15661393 0.83 PYGL (0.55) RXRAHNF4AL3MBTL1PYGLALDH1A1
SCHEMBL15652372 0.83 L3MBTL1 (0.54) RXRAHNF4AL3MBTL1PYGLKDM4E
SCHEMBL12068765 0.83 L3MBTL1 (0.51) RXRAHNF4AL3MBTL1PYGLKDM4E
SCHEMBL16424144 0.83 ALDH1A1 (0.57) RXRAHNF4AL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473470-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-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-2473471-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-2473469-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
WO-2011028866-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-2011028872-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-2011028862-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-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