SCHEMBL28477455

SCHEMBL28477455

C=CCC(C)CNC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HCRTR2 O43614 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
GLA P06280 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP2D6 P10635 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
SCHEMBL9797359 0.83 GAA (0.46) GAAKMT2AMEN1ALDH1A1HRH4
SCHEMBL25955311 0.78 MEN1 (0.41) GAAKMT2AMEN1SMN1; SMN2CYP2D6
SCHEMBL7679851 0.76 TGM2 (0.52) ATMSMN1; SMN2LMNAHTT
SCHEMBL21254098 0.76 MTNR1A (0.36) ALDH1A1NPSR1SMN1; SMN2TSHRCYP2D6
SCHEMBL8917423 0.75 CYP2D6 (0.56) GAAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL14842764 0.75 GAA (0.41) GAAKMT2AMEN1ALDH1A1HRH4
SCHEMBL31126820 0.75 GAA (0.45) GAAKMT2AMEN1ALDH1A1HRH4
SCHEMBL10810868 0.74 HRH4 (0.44) GAAKMT2AMEN1HRH4HRH3
SCHEMBL87647 0.74
SCHEMBL3373145 0.74 GAA (0.45) GAAKMT2AMEN1ALDH1A1MGAM

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-109608919-B Efficient environment-friendly UV-moisture dual-curing three-proofing paint for flexible circuit board 深圳市亿铖达工业有限公司 2020-10-27 CN disclosed