SCHEMBL1780743

SCHEMBL1780743

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.35
BTK Q06187 2/20 0.34
TGM2 P21980 6/20 0.33
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MAPT P10636 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
SCHEMBL15423448 0.80 ZDHHC20 (0.38) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL21384145 0.80 ALDH1A1 (0.59) ALDH1A1PKMGAAMTNR1AMTNR1B
SCHEMBL6897850 0.77 KMT2A (0.49) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL20547279 0.74 ALDH1A1 (0.46) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL22753432 0.71 ZDHHC20 (0.42) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL15976161 0.71 ALDH1A1 (0.50) ALDH1A1PKM
SCHEMBL26032777 0.70 LMNA (0.49) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL21389215 0.70 TDP1 (0.46) ALDH1A1PKMTDP1GAA
SCHEMBL15422958 0.70 ALDH1A1 (0.43) ALDH1A1PKMTSHRMAPK1GAA
SCHEMBL167051 0.70 TSHR (0.68) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1

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 2 patents. 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
US-20110117477-A1 Photopolymerizable Compositions SMART HOLOGRAMS LIMITED 2011-05-19 US disclosed