SCHEMBL13237293

SCHEMBL13237293

[C-]#[N+]/C(O)=C(\C#N)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CRHBP P24387 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR2 Q13324 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PTP4A1 Q93096 1/20 0.33
MIF P14174 1/20 0.33
DHODH Q02127 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
SCHEMBL1753225 0.82 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL2115865 0.80 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL1754710 0.80 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL1118954 0.77 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL12722298 0.77 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL13264882 0.77 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL1118956 0.77 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL16043759 0.77 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL13237294 0.77 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1CYP2C9MAPT
SCHEMBL12088050 0.76 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1CYP2C9MAPT

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-7749669-B2 Electrophotographic toner and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2010-07-06 US disclosed
US-7678520-B2 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2010-03-16 US disclosed
US-20070259282-A1 Electrophotographic toner, image forming method, dye and metal chelate dye KONICA MINOLTA HOLDINGS, INC. (JP) 2007-11-08 US disclosed
US-20070092819-A1 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-26 US disclosed