SCHEMBL5843329

SCHEMBL5843329

C=CC(=O)NC(C)C(C)CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACACB O00763 2/20 0.32
CYP2C19 P33261 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 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
SCHEMBL9746908 0.81 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL4759787 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL26479936 0.77 TSHR (0.71) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL6245506 0.77 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL21496759 0.76 TRPV1 (0.39) TSHRALDH1A1ACACB
SCHEMBL13370836 0.74 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL8643961 0.73 TSHR (0.65) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL21986612 0.73 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ACACB
Hydrochloric Acid SCHEMBL13370823 0.73 TSHR (0.44) TSHRALDH1A1MAPK1TDP1ACACB
SCHEMBL20892818 0.71 ZDHHC20 (0.51) TSHRALDH1A1MAPK1ZDHHC20ZDHHC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122225-B2 Method for preparing an ink-jet recording sheet with a constant and a falling drying rate KONICA CORPORATION (JP) 2006-10-17 US disclosed
US-20040157009-A1 Ink-jet recording sheet KONICA CORPORATION (JP) 2004-08-12 US disclosed
US-20030068475-A1 Ink-jet recording sheet KONICA CORPORATION (JP) 2003-04-10 US disclosed