SCHEMBL3229724

SCHEMBL3229724

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL3841847 0.83 SLC6A3 (0.38) TSHRALDH1A1GRIK1GRIK2SLC6A2
SCHEMBL14877367 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1823497 0.82
SCHEMBL3428949 0.81
SCHEMBL14533808 0.80
SCHEMBL26620 0.80
SCHEMBL15484951 0.79 TSHR (0.33) TSHRALDH1A1GRIK1GRIK2SLC6A2
SCHEMBL2228649 0.78 GABRP (0.40) TSHR
Ethylene SCHEMBL3936195 0.78 TSHR (0.36) TSHRALDH1A1GRIK1GRIK2SLC6A2
SCHEMBL21836051 0.77 TSHR (0.32) TSHRALDH1A1SLC6A2SLC6A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145758-B2 Packaging and packaging unit 3A TECH & MAN AG (CH) 2017-06-07 EP disclosed
EP-2145758-B1 Packaging film, packaging, packaging material packaging unit and application of a packaging film 3A TECHNOLOGY & MAN AG (CH) 2013-07-03 EP disclosed
WO-2010006710-A1 PACKAGING FILM, PACKAGE, PACKAGED GOODS PACKAGE UNIT, AND USE OF A PACKAGING FILM ALCAN TECHNOLOGY & MANAGMENT LTD. (CH) 2010-01-21 WO disclosed
EP-2145758-A1 Packaging film, packaging, packaging material packaging unit and application of a packaging film Alcan Technology & Management AG (CH) 2010-01-20 EP disclosed