SCHEMBL13237264

SCHEMBL13237264

COC(=O)/C(C(C)=O)=C(/O)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
DNMT1 P26358 1/20 0.33
RECQL P46063 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
KISS1R Q969F8 2/20 0.33
TGFBR1 P36897 1/20 0.32

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
SCHEMBL15913508 0.74 ALDH1A1 (0.40) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL2633295 0.71 ALDH1A1 (0.43) TDP1ALDH1A1POLBMEN1KMT2A
SCHEMBL11979152 0.71 ALDH1A1 (0.43) TDP1ALDH1A1POLBMEN1KMT2A
SCHEMBL13264940 0.71 MGAM (0.41) TDP1ALDH1A1GAACYP2C19MMP1
SCHEMBL1089752 0.69 CA2 (0.46) TDP1ALDH1A1CYP2C19MMP1MMP2
SCHEMBL10010138 0.69 ALDH1A1 (0.43) TDP1ALDH1A1GAACYP2C19MMP1
SCHEMBL10010142 0.69 ALDH1A1 (0.43) TDP1ALDH1A1GAACYP2C19MMP1
SCHEMBL16207839 0.68 ALDH1A1 (0.44) TDP1ALDH1A1GAAMAPTMMP1
SCHEMBL27953513 0.68 ALDH1A1 (0.44) TDP1ALDH1A1GAAMMP1MMP2
SCHEMBL13237236 0.68 GPR84 (0.45) TDP1ALDH1A1MEN1KMT2AMAPT

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 6 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-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 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-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