SCHEMBL8041733

SCHEMBL8041733

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.33
ACACB O00763 2/20 0.33
TGM2 P21980 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL451042 0.82 TSHR (0.52) TSHRALDH1A1ACACBTGM2CYP2C19
SCHEMBL9254769 0.81 TSHR (0.44) TSHRALDH1A1TGM2CYP2C19
SCHEMBL8054859 0.79 TSHR (0.49) TSHRALDH1A1ACACBTGM2
SCHEMBL28377453 0.78 TSHR (0.52) TSHRALDH1A1ACACBTGM2CYP2C19
SCHEMBL3914393 0.78 TSHR (0.52) TSHRALDH1A1ACACBTGM2CYP2C19
SCHEMBL27781702 0.77 ALDH1A1 (0.41) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL9262683 0.76 TSHR (0.45) TSHRALDH1A1ACACBTGM2CYP2C19
SCHEMBL3914392 0.75 TSHR (0.54) TSHRALDH1A1ACACBTGM2CYP2C19
SCHEMBL9000784 0.74 TSHR (0.44) TSHRALDH1A1ACACBTGM2CYP2C19
SCHEMBL21629443 0.74 TSHR (0.58) TSHRALDH1A1ACACBTGM2CYP2C19

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
JP-10316640-A None JP disclosed
EP-0863131-B1 Acrylic monomers, polymers thereof and crosslinking compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-17 EP disclosed
EP-0863131-A1 Acrylic monomers, polymers thereof and crosslinking compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-09-09 EP disclosed