SCHEMBL27367228

SCHEMBL27367228

O=C(OCF)c1cccc(C(=O)OCF)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
RAB9A P51151 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SERPINE1 P05121 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LOXL2 Q9Y4K0 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
SCHEMBL17177747 0.88 RAB9A (0.58) RAB9AMAPK1NPC1ESR1ESR2
SCHEMBL12712173 0.88 RAB9A (0.40) TDP1RAB9AMAPK1HIF1ASLC6A2
SCHEMBL13715546 0.87 CYP4F2 (0.49) TDP1RAB9ASLC6A2SLC6A3KMT2A
SCHEMBL5162220 0.84 TDP1 (0.63) TDP1RAB9AMAPK1HIF1ASLC6A2
SCHEMBL6139471 0.80 CYP4F2 (0.49) TDP1RAB9AMAPK1HIF1ASLC6A2
SCHEMBL17978153 0.80 LMNA (0.50) TDP1RAB9AMAPK1HIF1ASLC6A2
SCHEMBL27700823 0.78 CYP4F2 (0.47) TDP1RAB9AMAPK1HIF1ASLC6A2
SCHEMBL27588015 0.78 ESR1 (0.46) TDP1RAB9AMAPK1HIF1ASLC6A2
SCHEMBL110276 0.78 CYP4F2 (0.65) RAB9AKMT2ANPC1CYP4F2CYP4A11
SCHEMBL1996803 0.78 MAPT (0.58) TDP1RAB9AMAPK1HIF1ANPC1

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102077393-B Secondary battery and electronic device SONY CORP 2014-01-08 CN disclosed
CN-101432278-B Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO 2012-11-28 CN disclosed
CN-101253177-B Bicyclic heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2012-09-19 CN disclosed
CN-102209786-A Genetically modified seed combined with spore forming bacterium and optional insect control agents BAYER CROPSCIENCE LP 2011-10-05 CN disclosed
CN-1956720-B Combination for the treatment of HIV infection BRISTOL MYERS SQUIBB CO 2010-12-15 CN disclosed
CN-101851243-A Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER CROPSCIENCE AG 2010-10-06 CN disclosed
CN-101792450-A spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER CROPSCIENCE AG 2010-08-04 CN disclosed
CN-1837194-B Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones compound BAYER CROPSCIENCE AG 2010-06-16 CN disclosed
CN-101432278-A Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2009-05-13 CN disclosed
CN-101351452-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-21 CN disclosed
CN-1226229-A Glyoxalic acid derivative BAYER AG (DE) 1999-08-18 CN disclosed
CN-1207739-A 1,2, 3-thiadiazole carboxylic acid (thio) esters and their use as pest control agents and microbicides BAYER AG (DE) 1999-02-10 CN disclosed
CN-1200110-A Iminoacetic acid amides compound BAYER AG (DE) 1998-11-25 CN disclosed
CN-1194638-A Substituted cyanophenyl uracils BAYER AG (DE) 1998-09-30 CN disclosed
CN-1193320-A 1,3-oxa(thio) zine derivatives BAYER AG (DE) 1998-09-16 CN disclosed
CN-1187820-A Benzimidazole derivatives BAYER AG (DE) 1998-07-15 CN disclosed
CN-1151727-A Amino acid derivatives and their pesticidal use BAYER AG (DE) 1997-06-11 CN disclosed
CN-1151404-A Substituted tetrahydro-5-nitro-pyrimidines BAYER AG (DE) 1997-06-11 CN disclosed
CN-1122801-A Substituted biphenyl oxazolines BAYER AG (DE) 1996-05-22 CN disclosed
CN-1102757-A Colloidally dispersible acive compound BAYER AG (DE) 1995-05-24 CN disclosed