SCHEMBL11068199

SCHEMBL11068199

C=C(C)C(=O)OCC(O)COc1ccc(/C=C/c2ccc3ccccc3n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.60
CYSLTR2 Q9NS75 4/20 0.48
CYSLTR1 Q9Y271 4/20 0.48
MAPT P10636 8/20 0.47
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
LMNA P02545 6/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.42
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL11058632 1.00 GLA (0.60) GLACYSLTR2CYSLTR1MAPTKMT2A
SCHEMBL11058627 0.87 GLA (0.62) GLACYSLTR2CYSLTR1MAPTKMT2A
SCHEMBL6466871 0.80 FDPS (0.52) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL8854403 0.77 GLA (0.81) GLACYSLTR2CYSLTR1MAPTKMT2A
SCHEMBL29021873 0.77 GLA (1.00) GLACYSLTR2CYSLTR1MAPTKMT2A
SCHEMBL30442596 0.77 GLA (1.00) GLACYSLTR2CYSLTR1MAPTKMT2A
SCHEMBL11058635 0.76 GLA (0.62) GLACYSLTR2CYSLTR1MAPTKMT2A
SCHEMBL19164508 0.73 SMN1; SMN2 (0.56) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL10895002 0.73 GLA (0.72) GLACYSLTR2CYSLTR1MAPTKMT2A
SCHEMBL389103 0.73 GLA (0.72) GLACYSLTR2CYSLTR1MAPTKMT2A

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
US-4444868-A CONTAINING STYRYL-TYPE NITROGEN-HETEROCYCLE RESIDUE POLYMER AND ACID AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1984-04-24 US disclosed