SCHEMBL9349879

SCHEMBL9349879

C=CC(=O)NOC(=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.35
TGM2 P21980 2/20 0.34
FGFR4 P22455 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10715410 0.84 TSHR (0.36) TSHRALDH1A1MAPK1TDP1LMNA
SCHEMBL2365102 0.80
SCHEMBL27833555 0.79 TSHR (0.38) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27889047 0.77 ALDH1A1 (0.46) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL27879867 0.76
SCHEMBL176518 0.75
SCHEMBL27746463 0.75 TSHR (0.40) TSHRALDH1A1MAPK1TDP1LMNA
SCHEMBL7950676 0.73
SCHEMBL18139168 0.73 TSHR (0.39) TSHRALDH1A1MAPK1TDP1LMNA
SCHEMBL3169315 0.73 NPSR1 (0.38) TSHRALDH1A1MAPK1TDP1LMNA

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
EP-0426280-B1 Paper mats GENCORP INC (US) 1994-08-31 EP claimed