SCHEMBL333382

SCHEMBL333382

O=C(c1ccccc1)c1cc(F)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.59
CES1 P23141 3/20 0.59
AKR1C3 P42330 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.46
GAA P10253 2/20 0.46
KEAP1 Q14145 2/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MAPT P10636 1/20 0.46
MAPK14 Q16539 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL29367263 1.00 CES2 (0.59) CES2CES1AKR1C3ALDH1A1ATM
SCHEMBL4537134 0.88 CES2 (0.63) CES2CES1ALDH1A1HDAC1KEAP1
SCHEMBL9766594 0.87 ATM (0.52) AKR1C3ALDH1A1ATMTDP1L3MBTL1
SCHEMBL8606277 0.87 ATM (0.52) AKR1C3ALDH1A1ATMTDP1L3MBTL1
SCHEMBL29765677 0.85 CES2 (0.59) CES2CES1AKR1C3ALDH1A1ATM
SCHEMBL158348 0.85 CES2 (0.59) CES2CES1AKR1C3ALDH1A1ATM
SCHEMBL31052933 0.85 TDP1 (0.57) AKR1C3ALDH1A1ATMTDP1L3MBTL1
SCHEMBL27673772 0.83 CES2 (0.74) CES2CES1ALDH1A1KEAP1MEN1
SCHEMBL20158111 0.83 CES2 (0.57) CES2CES1MEN1KMT2ARAB9A
SCHEMBL5155478 0.83 AKR1C3 (0.62) AKR1C3ALDH1A1ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114950159-B Preparation method of aromatic polymer separation membrane based on super acid catalysis 南京工业大学 2023-06-06 CN claimed
CN-113429532-B Application of polyether-ether-ketone prepared from 1-butyl-3-methylimidazole bromide in selective laser sintering 江汉大学 2023-05-23 CN claimed
CN-113429563-B Application of selective laser sintering by taking polyether-ether-ketone prepared by solvent as raw material 江汉大学 2023-05-23 CN claimed
CN-113429562-B Application of selective laser sintering by taking polyether-ether-ketone as raw material 江汉大学 2023-05-23 CN claimed
CN-113321800-B Application of selective laser sintering by taking polyether-ether-ketone prepared from tetramethyl guanidine tetrafluoroborate as raw material 江汉大学 2023-05-23 CN claimed
CN-114950159-A Preparation method of aromatic polymer separation membrane based on super-acid catalysis preparation 南京工业大学 2022-08-30 CN claimed
US-11312891-B2 Refrigerant mixtures comprising difluoromethane, pentafluoroethane, tetrafluoroethane, tetrafluoropropene, and carbon dioxide and uses thereof THE CHEMOURS COMPANY FC, LLC (US) 2022-04-26 US claimed
CN-113429563-A Application of selective laser sintering by using polyether-ether-ketone prepared by adopting solvent as raw material 江汉大学 2021-09-24 CN claimed
CN-113429532-A Application of selective laser sintering by using polyether-ether-ketone prepared from 1-butyl-3-methylimidazole bromine salt as raw material 江汉大学 2021-09-24 CN claimed
CN-113429562-A Application of selective laser sintering by taking polyether-ether-ketone as raw material 江汉大学 2021-09-24 CN claimed
WO-2008027511-A1 EPOXIDE AND FLUORINATED EPOXIDE STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027594-A2 PHENOL STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027515-A2 PHOSPHORUS-CONTAINING STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027596-A2 BENZOPHENONE DERIVATIVE STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027512-A2 FUNCTIONALIZED PERFLUOROPOLYETHER STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027519-A1 OXETANE STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027517-A1 THIOL AND THIOETHER STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027514-A1 TERPENE, TERPENOID, AND FULLERENE STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027513-A2 ARYL-ALKYL ETHER, POLYOXYALKYLATED AROMATIC, AND ALKYLATED AROMATIC STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2007126760-A2 COMPOSITIONS COMPRISING IODOTRIFLUOROMETHANE AND STABILIZERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-11-08 WO claimed