SCHEMBL3086041

SCHEMBL3086041

CCN(CCO)CCO.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.39
ALDH2 P05091 1/20 0.39
CYP2D6 P10635 2/20 0.38
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
SLC29A1 Q99808 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL35602 0.97
SCHEMBL30008162 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL7847871 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL27982429 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
Iodide SCHEMBL15392134 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL7847332 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
Ammonia Solution, Strong SCHEMBL17091752 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
Trolamine SCHEMBL11520004 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL3923168 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A
Hydrochloric Acid SCHEMBL2141328 0.93 CYP1A2 (0.58) CYP1A2CYP2C9HPGDMAPK1HIF1A

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-8460845-B2 Cyan toner CANON KABUSHIKI KAISHA (JP) 2013-06-11 US disclosed
US-7794908-B2 capsule type toner particles having a surface layer, containing a binder resin of polyester resin, a vinyl resin, and a polyurethane; magnetic toner having high offset resistance and excellent charging performance, low-temperature fixability; electrophotography CANON KABUSHIKI KAISHA (JP) 2010-09-14 US disclosed
US-20100062355-A1 CYAN TONER CANON KABUSHIKI KAISHA (JP) 2010-03-11 US disclosed
US-20090170021-A1 TONER CANON KABUSHIKI KAISHA (JP) 2009-07-02 US disclosed