SCHEMBL27495367

SCHEMBL27495367

COC(=O)CCCC(C)C(=O)OO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
SLC1A1 P43005 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
GLA P06280 1/20 0.34
PPARG P37231 1/20 0.34
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 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
SCHEMBL4428415 0.88 MAPT (0.35) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL579411 0.88 TSHR (0.56) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL4372385 0.82 TSHR (0.54) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL494833 0.81 TSHR (0.52) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL494661 0.81 TSHR (0.52) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL494409 0.81 TSHR (0.52) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL579305 0.81 TSHR (0.52) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL494385 0.81 TSHR (0.52) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL495446 0.81 TSHR (0.52) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL493846 0.81 TSHR (0.52) TSHRLMNAALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037363-B A kind of entecavir compound prepared novel synthesis 山东罗欣药业集团股份有限公司 2016-08-24 CN disclosed
CN-105037363-B A kind of entecavir compound prepared novel synthesis 山东罗欣药业集团股份有限公司 2016-08-24 CN disclosed
CN-101482698-B Resist composition DAICEL CHEM 2012-07-04 CN disclosed
CN-101220229-B Dye dispersion liquid DAICEL CHEM 2012-05-23 CN disclosed
CN-101482698-A Resist composition DAICEL CHEM (JP) 2009-07-15 CN disclosed
CN-101220229-A Dye dispersion liquid DAICEL CHEM (JP) 2008-07-16 CN disclosed
CN-1221516-C Process for the carbonylation of a conjugated diene DSM NV (NL) 2005-10-05 CN disclosed
CN-1466565-A Process for the carbonylation of a conjugated diene DSM 2004-01-07 CN disclosed