SCHEMBL27645172

SCHEMBL27645172

CCC(C)Oc1ccc([S+]=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.41
MAPT P10636 1/20 0.41
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A3 P47895 1/20 0.34
POLB P06746 1/20 0.34
LTA4H P09960 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL122883 0.85 ACACB (0.45) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL1806289 0.79 ACACB (0.43) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL12521736 0.79 ALDH1A3 (0.48) ACACBMAPTALDH1A3POLBGAA
SCHEMBL27666109 0.79 ALDH1A3 (0.54) ALDH1A3POLBGAAKMT2A
SCHEMBL27666317 0.78 GAA (0.44) ACACBMAPTMTNR1AMTNR1BGAA
SCHEMBL9888683 0.77 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL8263616 0.77 ACHE (0.42) ACACBMAPTMTNR1AMTNR1BKMT2A
SCHEMBL18754954 0.77 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL13064360 0.77 ACHE (0.42) ACACBMAPTMTNR1AMTNR1BKMT2A
SCHEMBL25513374 0.77 ACHE (0.42) ACACBMAPTMTNR1AMTNR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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