SCHEMBL5485097

SCHEMBL5485097

C#Cc1ccc(C(=O)OCC)c(C(=O)OCC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
ALDH1A1 P00352 4/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA1 P14867 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5736404 0.87 CA12 (0.47) TSHRCA12CA1CA2CA7
SCHEMBL8058044 0.87 CA12 (0.64) TSHRCA12CA1CA2CA7
SCHEMBL18094303 0.86 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL6883767 0.83 TSHR (0.55) TSHRCA12CA1CA2CA7
SCHEMBL8028947 0.83 CA12 (0.44) TSHRCA12CA1CA2CA7
SCHEMBL28581141 0.82 TSHR (0.61) TSHRALDH1A1HSD17B10MAPTKDM4E
SCHEMBL28563915 0.82 TSHR (0.61) TSHRALDH1A1HSD17B10MAPTKDM4E
SCHEMBL7726562 0.81 CA12 (0.46) TSHRCA12CA1CA2CA7
SCHEMBL27415591 0.80 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL14252073 0.80 TSHR (0.59) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014147288-A1 LUMINESCENT TRIAZACYCLONONANE-BASED LANTHANIDE CHELATE COMPLEXES AS LABELLING REAGENTS KAIVOGEN OY (FI) 2014-09-25 WO disclosed
US-8263732-B2 Photo-alignment film and liquid crystal display element JNC CORPORATION (JP) 2012-09-11 US disclosed
US-20070232780-A1 PHOTO-ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2007-10-04 US disclosed