SCHEMBL784546

SCHEMBL784546

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
TGM2 P21980 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
SCHEMBL784470 0.84 ZDHHC20 (0.40) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784665 0.81 ZDHHC20 (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784536 0.81 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784461 0.80 TSHR (0.36) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL784547 0.74 TSHR (0.40) TSHR
SCHEMBL784674 0.72 TSHR (0.52) TSHRALDH1A1MAPK1
SCHEMBL784451 0.72 TSHR (0.48) TSHRALDH1A1MAPK1
SCHEMBL7776385 0.72 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL16805860 0.72 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL644261 0.71 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