SCHEMBL27736688

SCHEMBL27736688

C=CC(=O)OC(C)CN(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL8857470 0.84 ALDH1A1 (0.39) THRBALDH1A1TSHRSCN1ASCN2A
SCHEMBL11821132 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCHRNB2CHRNB4
SCHEMBL14409179 0.77 TSHR (0.42) THRBTSHRL3MBTL1LMNAKDM4E
SCHEMBL9646933 0.76 CTSK (0.47) THRBTSHRMEN1KMT2A
SCHEMBL1038644 0.76 TSHR (0.44) ALDH1A1HSD17B10TSHRSMN1; SMN2TP53
SCHEMBL13051005 0.75 THRB (0.49) THRBALDH1A1HSD17B10TSHRCHRNB2
SCHEMBL7644507 0.75 HCAR2 (0.41) THRBALDH1A1TSHRCHRNB2CHRNB4
SCHEMBL9915775 0.74 THRB (0.43) THRBTSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL6263245 0.73 TSHR (0.40) THRBALDH1A1TSHRCHRNB2CHRNB4
SCHEMBL4940542 0.73 NPC1 (0.40) THRBALDH1A1HSD17B10SCN1ASCN2A

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-101348536-B Emulsion polymer comprising activators, process for preparation thereof and use thereof in two-component or multicomponent systems EVONIK ROEHM GMBH 2014-06-11 CN disclosed
CN-101343335-A Two or more-component system cured by a redox initiator system with controllable working life, and the use thereof EVONIK ROEHM GMBH (DE) 2009-01-14 CN disclosed