SCHEMBL27733247

SCHEMBL27733247

COC(=O)c1cc(Cl)c(C)c(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
XDH P47989 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43

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
SCHEMBL3555140 0.88 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL14341400 0.83 ABL1 (0.47) GAALMNANFKB1NFKB2RELA
SCHEMBL23118250 0.83 GAA (0.45) CA12CA1CA2CA7CA9
SCHEMBL9944141 0.81 LMNA (0.60) CA12CA1CA2CA7CA9
SCHEMBL31160526 0.81 GAA (0.44) CA12CA1CA2CA7CA9
SCHEMBL23089980 0.81 GAA (0.44) CA12CA1CA2CA7CA9
SCHEMBL15958202 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8335189 0.80 NOTUM (0.46) CA12CA1CA2CA7CA9
SCHEMBL23089981 0.80 GAA (0.42) CA12CA1CA2CA7CA9
SCHEMBL22400342 0.80 CA12 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103641795-A Acetophenone derivatives containing 1,2,3-thiadiazole and preparation method and use thereof UNIV NANKAI 2014-03-19 CN claimed
CN-102382108-A Tetrazole compounds containing 1,2,3-bismuththiol methylene, preparation methods for same and application thereof UNIV NANKAI 2012-03-21 CN claimed
CN-101891709-A 5-halogenated methyl-1,2,3-thiadiazole compound and preparation method and use thereof UNIV NANKAI 2010-11-24 CN claimed
CN-103641795-B One class contains acetophenone derivs of 1,2,3-thiadiazoles and its production and use NANKAI UNIVERSITY (CN) 2016-03-02 CN disclosed
CN-102382108-B Tetrazole compounds containing 1,2,3-bismuththiol methylene, preparation methods for same and application thereof UNIV NANKAI 2014-11-19 CN disclosed
CN-103641795-A Acetophenone derivatives containing 1,2,3-thiadiazole and preparation method and use thereof UNIV NANKAI 2014-03-19 CN disclosed
CN-101891709-B 5-halogenated methyl-1,2,3-thiadiazole compound and preparation method and use thereof UNIV NANKAI 2012-11-21 CN disclosed
CN-102382108-A Tetrazole compounds containing 1,2,3-bismuththiol methylene, preparation methods for same and application thereof UNIV NANKAI 2012-03-21 CN disclosed
CN-101891709-A 5-halogenated methyl-1,2,3-thiadiazole compound and preparation method and use thereof UNIV NANKAI 2010-11-24 CN disclosed
CN-101235044-B Method for preparing faropenem daloxate NANJING HUAWEI MEDICAL SCIENCE & TECHNOLOGY CO LTD 2010-11-03 CN disclosed
CN-101235044-A Method for preparing faropenem daloxate NANJING HUAWEI MEDICAL SCIENCE (CN) 2008-08-06 CN disclosed