SCHEMBL4544996

SCHEMBL4544996

[CH2-][NH2+]/C(C(=O)OCCc1ccc(C(C)(C)C)cc1)=C(/O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.41
COPS5 Q92905 3/20 0.39
ESRRG P62508 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ESRRB O95718 2/20 0.37
NR1H4 Q96RI1 4/20 0.36
EPHX2 P34913 2/20 0.36
NR4A2 P43354 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARA Q07869 2/20 0.35
PPARD Q03181 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
SCHEMBL4544984 0.85 HCAR2 (0.43) SMN1; SMN2LMNANPC1RAB9AL3MBTL1
SCHEMBL1788418 0.75 ESRRG (0.50) SLC13A5COPS5ESRRGSMN1; SMN2LMNA
SCHEMBL3367890 0.75 LMNA (0.48) SLC13A5ESRRGSMN1; SMN2LMNAESRRB
SCHEMBL4544976 0.74 ALOX5 (0.38) LMNAL3MBTL1
SCHEMBL1788420 0.73 ESRRG (0.47) SLC13A5ESRRGSMN1; SMN2LMNAESRRB
SCHEMBL3367885 0.70 ESRRG (0.45) SLC13A5COPS5ESRRGSMN1; SMN2LMNA
SCHEMBL12168668 0.69 ESRRG (0.40) SLC13A5ESRRGSMN1; SMN2LMNAESRRB
SCHEMBL3364293 0.68 ESRRG (0.43) SLC13A5ESRRGSMN1; SMN2LMNAESRRB
SCHEMBL24510476 0.68 MAOB (0.48) MEN1KMT2APPARAPPARD
SCHEMBL1789854 0.66 NR1H4 (0.49) SLC13A5COPS5ESRRGSMN1; SMN2LMNA

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 5 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
US-20080113284-A1 ELECTROPHOTOGRAPHIC IMAGE FORMING METHOD AND YELLOW TONER USED IN THE METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2008-05-15 US disclosed