SCHEMBL28049945

SCHEMBL28049945

C=C(CC1COCCO1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5713286 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL184079 0.84
SCHEMBL21630252 0.83 ALDH1A1 (0.31) ALDH1A1
Ethylene SCHEMBL10456431 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9766931 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4206629 0.80 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL322281 0.80 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3FEN1
SCHEMBL323060 0.80 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3FEN1
SCHEMBL323220 0.80 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3FEN1
SCHEMBL9766930 0.80 ALDH1A1 (0.33) ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105602276-A Polymerizable near-infrared fluorescent dye monomer and preparation method and application thereof UNIV SOOCHOW 2016-05-25 CN claimed
CN-105602276-A Polymerizable near-infrared fluorescent dye monomer and preparation method and application thereof UNIV SOOCHOW 2016-05-25 CN disclosed