SCHEMBL784557

SCHEMBL784557

C=CC(=O)NCCOC(=O)C(C)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGM2 P21980 12/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM5B Q9UGL1 1/20 0.31
GAA P10253 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
SCHEMBL784556 0.89 ZDHHC20 (0.42) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL2608182 0.84 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL784536 0.83 TSHR (0.41) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL784470 0.83 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL366894 0.81 ZDHHC20 (0.44) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL15373709 0.79 ZDHHC20 (0.46) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL23281614 0.77 TSHR (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL784697 0.76 TSHR (0.43) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL4455953 0.75 ZDHHC20 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL26478811 0.75 ZDHHC20 (0.42) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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