SCHEMBL7804048

SCHEMBL7804048

O=C(O)c1cc(F)c(F)c(OC(F)F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TEAD4 Q15561 1/20 0.35
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ALB P02768 1/20 0.32
TSHR P16473 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL8946849 0.86 KEAP1 (0.35) KEAP1NFE2L2MAPTALDH1A1CES2
SCHEMBL7811260 0.86 ALDH1A1 (0.37) KEAP1NFE2L2MAPTALDH1A1KMT2A
SCHEMBL7016307 0.85 KEAP1 (0.35) KEAP1NFE2L2TAS2R14MAPTALDH1A1
SCHEMBL7012967 0.85 KEAP1 (0.34) KEAP1NFE2L2TAS2R14MAPTALDH1A1
SCHEMBL7007318 0.84 ALDH1A1 (0.46) KEAP1NFE2L2MAPTALDH1A1KMT2A
SCHEMBL6648524 0.84 DGAT1 (0.36) MAPTALDH1A1CES2CES1KDM4E
SCHEMBL9566698 0.81 KEAP1 (0.32) KEAP1NFE2L2MAPT
SCHEMBL9566655 0.78 KEAP1 (0.34) KEAP1NFE2L2MAPTALDH1A1CES2
SCHEMBL9561822 0.78 SLC6A2 (0.36) MAPTALDH1A1KDM4ECA1CA2
SCHEMBL607945 0.78 HSD17B10 (0.44) KEAP1NFE2L2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1827580-A Synthesis process of 3-difluoromethoxy-2, 4, 5-trifluorobenzoic acid DAFENG TIANSHENG PHARMACEUTICA (CN) 2006-09-06 CN disclosed
CN-1827580-A Synthesis process of 3-difluoromethoxy-2, 4, 5-trifluorobenzoic acid DAFENG TIANSHENG PHARMACEUTICA (CN) 2006-09-06 CN disclosed
CN-1827580-A Synthesis process of 3-difluoromethoxy-2, 4, 5-trifluorobenzoic acid DAFENG TIANSHENG PHARMACEUTICA (CN) 2006-09-06 CN disclosed
CN-1580055-A Quinolone carboxylic acid derivatives and their salts XINCHUANG MEDICINE SCIENCE TEC (CN) 2005-02-16 CN disclosed
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed
US-5688791-A COMPOUNDS FOR TREATMENNT OF VIRAL DISEASES SUCH AS AIDS UBE INDUSTRIES, LTD. (JP) 1997-11-18 US disclosed
US-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
US-5496951-A 1-CYCLOPROPYL-6-FLUORO-8-FLUORINATED METHOXY COMPOUNDS INCLUDING BORON DIFLUORIDE CHELATE; CHEMICAL INTERMEDIATES AND ANTIBACTERIAL AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-05 US disclosed
US-5436367-A 3, 4-difluorobenzoic acid derivatives SANKO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
CN-1028226-C 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-04-19 CN disclosed
EP-0352123-B1 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-01-18 EP disclosed
US-5348961-A Antibacterial agents SANKYO COMPANY LIMITED (JP) 1994-09-20 US disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed
US-5073556-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-12-17 US disclosed
CN-1040977-A The preparation and the use of 4-Oxoquinoline-3-carboxylic acid derivative UBE INDUSTRIES (JP) 1990-04-04 CN disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 EP disclosed