SCHEMBL28535443

SCHEMBL28535443

C=C(C)C(=O)OCCOC(=O)[C@H](N)CCCCN

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
GSR P00390 1/20 0.44
TSHR P16473 3/20 0.44
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
CPB2 Q96IY4 2/20 0.36
DPP7 Q9UHL4 7/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR2 O60603 2/20 0.34
DPP4 P27487 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
SCHEMBL28160062 1.00 THRB (0.45) THRBGSRTSHRGNAI3GNAO1
SCHEMBL28536915 0.84 GSR (0.47) GSRTSHRGNAI3GNAO1GNAI1
SCHEMBL16969537 0.84 GSR (0.47) GSRTSHRGNAI3GNAO1GNAI1
Lysine SCHEMBL28160064 0.82 GSR (0.56) THRBGSRTSHR
Lysine SCHEMBL170703 0.82 GSR (0.56) THRBGSRTSHR
SCHEMBL14648154 0.82 GNAI3 (0.46) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL7374987 0.79 GSR (0.57) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL1003011 0.79 GSR (0.57) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL344935 0.79 TSHR (0.66) THRBTSHRCPB2POLBAPEX1
SCHEMBL5832721 0.79 GSR (0.57) GSRGNAI3GNAO1GNAI1CPB2

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
CN-109485770-B Preparation method of leucine methacrylate homopolymer 天津大学 2021-03-30 CN disclosed