SCHEMBL28518754

SCHEMBL28518754

C=CC(=O)NC(C)NC(=O)NC(C)NC(=O)C=C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 2/20 0.33
TGM2 P21980 2/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
GAA P10253 1/20 0.32
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 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
SCHEMBL636063 0.93 TSHR (0.71) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL3901758 0.83 TSHR (0.65) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL5360732 0.81
Hydrochloric Acid SCHEMBL27985636 0.79 TSHR (0.60) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL6766743 0.79 TSHR (0.54) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL26479936 0.77 TSHR (0.71) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL27799665 0.77 TSHR (1.00) TSHRCYP2C19ALDH1A1MAPK1TDP1
SCHEMBL15072 0.77
SCHEMBL5693386 0.76 TSHR (0.56) TSHRCYP2C19ALDH1A1MAPK1TDP1
Water SCHEMBL23706522 0.75

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-118076923-A Printing original plate for photosensitive resin relief printing plate and printing plate 东洋纺MC株式会社 2024-05-24 CN disclosed
CN-108139669-B Photosensitive resin composition for relief printing original plate and relief printing original plate obtained therefrom 东洋纺株式会社 2021-02-26 CN disclosed