SCHEMBL4889708

SCHEMBL4889708

C=C(C#N)C(=O)OC(C)OCCOCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.32
RARB P10826 2/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 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
SCHEMBL4891844 0.96 TSHR (0.41) TSHRALDH1A1ZDHHC20MAPTMEN1
SCHEMBL4894014 0.95 TSHR (0.40) TSHRALDH1A1ZDHHC20MAPTMEN1
SCHEMBL4888227 0.92 ALDH1A1 (0.44) TSHRALDH1A1HSD17B10
SCHEMBL4891378 0.91 TSHR (0.46) TSHRALDH1A1
SCHEMBL4889694 0.87 ALDH1A1 (0.49) TSHRALDH1A1THRB
SCHEMBL26675841 0.86 TSHR (0.44) TSHRALDH1A1ZDHHC20
SCHEMBL4888281 0.85 ALDH1A1 (0.49) TSHRALDH1A1
SCHEMBL22719851 0.84 TSHR (0.42) TSHRALDH1A1
SCHEMBL5354606 0.82 TSHR (0.44) TSHRALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL4893053 0.81 ALDH1A1 (0.43) TSHRALDH1A1

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-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed