SCHEMBL15423448

SCHEMBL15423448

C=CC(=O)NCCN1C(=O)C=C(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TGM2 P21980 6/20 0.35
BTK Q06187 2/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
FGFR2 P21802 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL1780743 0.80 ALDH1A1 (0.46) ZDHHC20ZDHHC2GAAALDH1A1TSHR
SCHEMBL15423055 0.73 TSHR (0.40) GAAALDH1A1TSHRMAPK1TDP1
SCHEMBL21276464 0.73 PTGS1 (0.41) GAAALDH1A1TSHR
SCHEMBL4395914 0.73 MGLL (0.33) ALDH1A1TSHRMAPK1
SCHEMBL24988861 0.72 ALDH1A1 (0.40) GAAALDH1A1
SCHEMBL6897850 0.71 KMT2A (0.49) ZDHHC20ZDHHC2GAAALDH1A1TSHR
SCHEMBL22920989 0.70 HEXA (0.39) MAPK1
SCHEMBL24990014 0.70 ALDH1A1 (0.35) GAAALDH1A1
SCHEMBL23691617 0.70 ALDH1A1 (0.35) GAAALDH1A1
SCHEMBL1563252 0.69 MGLL (0.48) ZDHHC20ZDHHC2GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140015906-A1 INK COMPOSTION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed