SCHEMBL16307754

SCHEMBL16307754

CCOCCOC(=O)NCC(=O)NC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ACHE P22303 8/20 0.43
THRB P10828 1/20 0.42
EPHX1 P07099 1/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRNA7 P36544 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL13627734 0.81 TSHR (0.58) TSHRALDH1A1ACHETHRBEPHX1
SCHEMBL5174474 0.79 ALDH1A1 (0.56) TSHRALDH1A1ACHETHRBCHRNB2
SCHEMBL14340134 0.79 TSHR (0.56) TSHRALDH1A1ACHETHRBEPHX1
SCHEMBL8596323 0.77 TSHR (0.46) TSHRALDH1A1ACHETHRBSMN1; SMN2
SCHEMBL15082337 0.77 ALDH1A1 (0.54) TSHRALDH1A1ACHETHRBCHRNB2
SCHEMBL13038105 0.77 SMN1; SMN2 (0.35) TSHRCHRNB2CHRNA4SMN1; SMN2CHRNB4
SCHEMBL6318061 0.76 TSHR (0.52) TSHRALDH1A1ACHETHRBCHRNB2
SCHEMBL14904496 0.76 ACHE (0.62) TSHRALDH1A1ACHECHRNB2CHRNA4
SCHEMBL2818726 0.74 ALDH1A1 (0.60) TSHRALDH1A1ACHETHRBEPHX1
SCHEMBL25753021 0.74 ALDH1A1 (0.41) TSHRALDH1A1THRB

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-8911967-B2 One pot desialylation and glycopegylation of therapeutic peptides NOVO NORDISK A/S (DK) 2014-12-16 US disclosed