SCHEMBL5548486

SCHEMBL5548486

CC=C(C)C(=O)OC1OCCO1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33
TP53 P04637 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
RCE1 Q9Y256 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
SCHEMBL2728498 0.78 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL5509452 0.77 MAPT (0.33) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL5509442 0.77 MAPT (0.33) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL1704982 0.77
SCHEMBL28635110 0.76 ALDH1A1 (0.34) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL27698046 0.76 ALDH1A1 (0.34) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Methacrylic Acid SCHEMBL28962999 0.74 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2576614 0.72 ALDH1A1 (0.34) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL29113618 0.71 MAPT (0.30) MAPT
SCHEMBL3839822 0.71 MEN1 (0.34) ALDH1A1HPGDMAPTMEN1KMT2A

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
US-20070026282-A1 Polymer Electrolyte Membrane, Process For Production Thereof, Polymer Electrolyte, Electrolyte Composition, Membrane-Electrode Assembly, And Fuel Cell CANON KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-20040209990-A1 Low shrinking polymerizable dental material WALZ UWE (DE) 2004-10-21 US disclosed