SCHEMBL27978331

SCHEMBL27978331

C=CC(=O)NCc1cc(CNC(=O)C=C)c(O)c(CNC(=O)C=C)c1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TTR P02766 1/20 0.33
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.31
BTK Q06187 1/20 0.31
F13A1 P00488 1/20 0.31
LMNA P02545 1/20 0.31
TGM1 P22735 1/20 0.31
TGM3 Q08188 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
SCHEMBL28511134 0.89 TGM2 (0.49) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL27965034 0.89 TGM2 (0.41) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL27965032 0.86 ALDH1A1 (0.52) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL28987056 0.84 TGM2 (0.40) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL28987059 0.83 TGM2 (0.47) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL30345122 0.81 TGM2 (0.49) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL28987060 0.81 TGM2 (0.49) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL28424528 0.81 TGM2 (0.49) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL28049084 0.80 TTR (0.40) TGM2ALDH1A1MAPK1GAATTR
SCHEMBL26534130 0.80 TGM2 (0.45) TGM2ALDH1A1TSHRMAPK1TDP1

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
CN-103951578-A Multifunctional acrylamide compound containing capsaicin-like functional structure and preparation method and application thereof OCEAN UNIV CHINA 2014-07-30 CN claimed
CN-103951578-A Multifunctional acrylamide compound containing capsaicin-like functional structure and preparation method and application thereof OCEAN UNIV CHINA 2014-07-30 CN disclosed