SCHEMBL28033377

SCHEMBL28033377

COC(=O)[C@H](C)N(CCO)CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP7 P55210 1/20 0.35
CA14 Q9ULX7 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MME P08473 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HTT P42858 2/20 0.30
PLA2G1B P04054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8373524 1.00 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8582715 0.92 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL27617139 0.86 ALDH1A1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8585524 0.86 SMN1; SMN2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL4352079 0.83 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL4976038 0.81 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL8374459 0.81 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL25337703 0.79 CA1 (0.46) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL8885327 0.77 PGR (0.42) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL16964691 0.76 ZDHHC7 (0.49) MAPK1MEN1KMT2ACA1CA2

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-104945608-A Preparation method of modified hyperbranched polyester for environment-friendly dust suppressant UNIV SHANDONG SCIENCE & TECH 2015-09-30 CN disclosed