SCHEMBL8213754

SCHEMBL8213754

C=CC(=O)OC(N)(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
TSHR P16473 9/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 7/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
FGFR4 P22455 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
SCHEMBL692056 0.88 TSHR (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL27988075 0.85 TSHR (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL3278408 0.83 THRB (0.42) THRBTSHRHPGDALDH1A1TP53
SCHEMBL9817921 0.81 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL2046536 0.81 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL7623084 0.80 TSHR (0.48) THRBTSHRHPGDALDH1A1TP53
SCHEMBL302801 0.80 THRB (0.43) THRBTSHRHPGDALDH1A1TP53
Chloromethane SCHEMBL8427833 0.79 THRB (0.40) THRBTSHRHPGDALDH1A1TP53
Hydrochloric Acid SCHEMBL7804778 0.79 THRB (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL8346412 0.78 THRB (0.39) THRBTSHRHPGDALDH1A1TP53

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
US-6074761-A COATING COMPRISES A BINDER CONSISTS OF ORGANIC POLYMER FREE OR AMMONIUM GROUPS, A CATIONIC ADDITION POLYMER CONTAINING QUATERNARY AMMONIUM GROUP, A SECOND ADDITION CATION POLYMER CONTAINING SECONDARY OR TERTIARY AMINE GROUPS, AND A FILLER PPG INDUSTRIES OHIO, INC. (US) 2000-06-13 US disclosed