SCHEMBL4544969

SCHEMBL4544969

CCCCOC(=O)/C(C)=C(\O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 4/20 0.46
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 3/20 0.42
HPGD P15428 1/20 0.40
NAAA Q02083 1/20 0.37
GLO1 Q04760 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FAAH O00519 2/20 0.37
ESR1 P03372 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.35
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL4544963 0.93 TSHR (0.56) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL14186860 0.86 ALDH1A1 (0.48) ALDH1A1TSHRHCAR2GLO1LMNA
SCHEMBL8944831 0.86 ALDH1A1 (0.48) ALDH1A1TSHRHCAR2GLO1LMNA
SCHEMBL13703245 0.85 ALDH1A1 (0.54) ALDH1A1TSHRATMHCAR2HPGD
SCHEMBL28005421 0.84 ALDH1A1 (0.58) ALDH1A1TSHRATMHCAR2HPGD
SCHEMBL5159295 0.82 ALDH1A1 (0.65) ALDH1A1TSHRATMHCAR2HPGD
SCHEMBL7536522 0.82 ALDH1A1 (0.65) ALDH1A1TSHRATMHCAR2HPGD
SCHEMBL7536526 0.82 ALDH1A1 (0.65) ALDH1A1TSHRATMHCAR2HPGD
SCHEMBL7622799 0.82 ALDH1A1 (0.58) ALDH1A1TSHRATMHCAR2HPGD
SCHEMBL1982666 0.82 ALDH1A1 (0.58) ALDH1A1TSHRATMHCAR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298736-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-10-30 US disclosed
US-8178267-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-05-15 US disclosed
US-20090291377-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed