SCHEMBL4740792

SCHEMBL4740792

O=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.56
ELANE P08246 1/20 0.48
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.43
THRB P10828 1/20 0.41
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TYK2 P29597 1/20 0.36

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
SCHEMBL12716163 0.84 TXNRD1 (0.52) TXNRD1ELANEKMT2AHTTHPGD
SCHEMBL16638891 0.82 TXNRD1 (0.67) TXNRD1ELANEKMT2AHTTTHRB
SCHEMBL1998230 0.82 CA12 (0.59) TXNRD1ELANEHPGDL3MBTL1LMNA
SCHEMBL14511069 0.82 TXNRD1 (0.50) TXNRD1ELANEKMT2AHTTTHRB
SCHEMBL7177043 0.79 TXNRD1 (0.47) TXNRD1ELANEKMT2AHTTL3MBTL1
SCHEMBL1994212 0.76 CA12 (0.55) TXNRD1ELANEHPGDLMNAKDM4E
SCHEMBL22545515 0.73 ALDH1A1 (0.47) TXNRD1ELANEKMT2ATHRBLMNA
SCHEMBL26657525 0.73 CES2 (0.47) TXNRD1ELANEKMT2ALMNAMEN1
SCHEMBL30294756 0.72 CA12 (0.51) TXNRD1ELANEL3MBTL1KDM4ECA12
SCHEMBL22853023 0.72 CA12 (0.51) TXNRD1ELANEL3MBTL1KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079408-A1 A ZEBRAFISH BASED SCREEN FOR AGENTS WITH ABILITY TO PREVENT CELL DEATH UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-07-03 WO claimed
WO-2008079408-A1 A ZEBRAFISH BASED SCREEN FOR AGENTS WITH ABILITY TO PREVENT CELL DEATH UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-07-03 WO disclosed
US-6921633-B2 Methods and compositions for the preservation of cells, tissues or organs in the vitreous state BIOLIFE SOLUTIONS INCORPORATED (US) 2005-07-26 US disclosed
WO-2004046308-A2 METHODS AND COMPOSITIONS FOR THE PRESERVATION OF CELLS, TISSUES OR ORGANS IN THE VITREOUS STATE BIOLIFE SOLUTIONS, INC. (US) 2004-06-03 WO disclosed
US-20040096813-A1 Methods and compositions for the preservation of cells, tissues or organs in the vitreous state BIOLIFE SOLUTIONS, INC. 2004-05-20 US disclosed
US-6576614-B1 Administering methyl ketones or closed hemiketal derivatives of aspartic acid VERTEX PHARMACEUTICALS INCORPORATED 2003-06-10 US disclosed
US-5985838-A TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed