SCHEMBL27629338

SCHEMBL27629338

CCCCCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HSD17B3 P37058 7/20 0.64
HTR7 P34969 1/20 0.59
MMP1 P03956 1/20 0.57
PTPN1 P18031 2/20 0.56
GSK3B P49841 1/20 0.56
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
STS P08842 4/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL12420336 0.98 HDAC1 (0.68) HDAC1HDAC8HSD17B3HTR7MMP1
SCHEMBL2634195 0.95 HTR7 (0.66) HDAC1HDAC8HSD17B3HTR7MMP1
SCHEMBL18806577 0.91 HDAC1 (0.56) HDAC1HDAC8HSD17B3HTR7MMP1
SCHEMBL4831377 0.90 HTR7 (0.60) HDAC1HDAC8HSD17B3HTR7MMP1
SCHEMBL2764867 0.87 MMP1 (0.62) HDAC1HDAC8HSD17B3HTR7MMP1
SCHEMBL13410667 0.86 HTR7 (0.55) HDAC1HDAC8HSD17B3HTR7MMP1
SCHEMBL18753070 0.85 HSD17B3 (0.84) HSD17B3HTR7STSMAPT
SCHEMBL23049765 0.84 HDAC1 (0.67) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5849402 0.84 HDAC1 (0.67) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL13085794 0.83 HSD17B3 (0.85) HSD17B3HTR7STSALDH1A1MAPT

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed