SCHEMBL27747996

SCHEMBL27747996

NOCCCCCCCCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 6/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LOX P28300 1/20 0.33
AOC3 Q16853 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL12230876 1.00
SCHEMBL28822385 1.00 ODC1 (0.45) ODC1ADRB2ADRB1ADRB3GAA
SCHEMBL8091891 1.00
Hydrochloric Acid SCHEMBL31712150 0.97
SCHEMBL5513640 0.97
Ammonia Solution, Strong SCHEMBL8863583 0.94
SCHEMBL1038811 0.87
SCHEMBL17770697 0.87
Hydrochloric Acid SCHEMBL3889714 0.84
SCHEMBL10776208 0.83 ODC1 (0.60) ODC1ADRB2ADRB1ADRB3

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-101481440-A Liquid crystal polymer material and composite material realizing photo-induced deformation by visible light irradiation UNIV FUDAN (CN) 2009-07-15 CN disclosed