SCHEMBL784536

SCHEMBL784536

C=CC(=O)NCOC(=O)C(C)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
TGM2 P21980 7/20 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
SCHEMBL784557 0.83 ZDHHC20 (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784546 0.81 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784654 0.76 TGFBR1 (0.40) TSHR
SCHEMBL11234876 0.75 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784448 0.75 TSHR (0.46) TSHRALDH1A1MAPK1
SCHEMBL784545 0.74 TSHR (0.57) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7776385 0.74 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL16805860 0.73 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27932100 0.73 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL644261 0.72 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-8708474-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-04-29 US disclosed
US-8668322-B2 2014-03-11 US disclosed
US-20120069083-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed