SCHEMBL13237239

SCHEMBL13237239

COc1ccc(C(=O)/C=C(\O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MAOB P27338 3/20 0.51
CYP1B1 Q16678 2/20 0.51
CYP1A1 P04798 1/20 0.51
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
F3 P13726 1/20 0.50
HSPD1 P10809 1/20 0.50
TNFRSF1A P19438 1/20 0.50
HSPE1 P61604 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL1550039 0.83 TRPV1 (0.47) RAB9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1550038 0.83 TRPV1 (0.47) RAB9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1550040 0.83 TRPV1 (0.47) RAB9AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL28531869 0.82 ALDH1A1 (0.63) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL13236929 0.81 ALDH1A1 (0.53) CYP3A4CA2MAOBCYP1B1CYP1A1
SCHEMBL29116560 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19MAOBCYP1B1
SCHEMBL13895214 0.79 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL7361299 0.78 NFE2L2 (0.57) CA1CA2MAOBCYP1B1CYP1A1
SCHEMBL7361301 0.78 NFE2L2 (0.57) CA1CA2MAOBCYP1B1CYP1A1
SCHEMBL12900918 0.78 NFE2L2 (0.57) CA1CA2MAOBCYP1B1CYP1A1

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 10 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-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-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-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
US-20070092819-A1 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-26 US disclosed