SCHEMBL29952333

SCHEMBL29952333

OB(O)c1ccc(Cl)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TTR P02766 3/20 0.52
ENPP2 Q13822 4/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL306345 1.00 TSHR (0.52) TSHRHSD17B10ALDH1A1CYP3A4TDP1
SCHEMBL24165 0.81 TTR (0.57) TSHRHSD17B10ALDH1A1TTRENPP2
SCHEMBL130450 0.80 TTR (0.61) TSHRHSD17B10CYP3A4TTRENPP2
SCHEMBL1277359 0.77 ENPP2 (0.50) TSHRALDH1A1TTRENPP2CA1
SCHEMBL24730423 0.74 TTR (0.50) TSHRALDH1A1TTRENPP2CA1
SCHEMBL177405 0.74 TTR (0.50) TTRENPP2CA1CA2
SCHEMBL29427126 0.74 TTR (0.50) TTRENPP2CA1CA2
SCHEMBL1529238 0.74 CA1 (0.52) TSHRALDH1A1TTRENPP2CA1
SCHEMBL310780 0.74 TTR (0.50) TSHRTTRENPP2CA1CA2
SCHEMBL29465759 0.74 TTR (0.50) TSHRTTRENPP2CA1CA2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed