SCHEMBL7795589

SCHEMBL7795589

C=CC(=O)OC1CC(C)(C)N(OC(N)=O)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL25701767 0.89 TSHR (0.43) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL9400301 0.86 TSHR (0.55) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL9350754 0.83 TSHR (0.38) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL1685794 0.81 TSHR (0.33) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL1053833 0.79 GAA (0.44) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL3191892 0.79 TSHR (0.33) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL69507 0.79 TSHR (0.33) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL25701766 0.78 TSHR (0.35) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL8850033 0.78 TSHR (0.33) ALDH1A1ESR1HSD17B10TSHRKMT2A
SCHEMBL1685817 0.78 TSHR (0.33) ALDH1A1ESR1HSD17B10TSHRKMT2A

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
JP-2001220381-A DERIVATIVE OF N-SUBSTITUTED CARBAMOYLOXY-2,2,6,6- TETRAMETHYL-4-PIPERIDYL ACRYLATE ASAHI DENKA KOGYO KK 2001-08-14 JP disclosed
JP-2001220381-A DERIVATIVE OF N-SUBSTITUTED CARBAMOYLOXY-2,2,6,6- TETRAMETHYL-4-PIPERIDYL ACRYLATE ASAHI DENKA KOGYO KK 2001-08-14 JP disclosed