SCHEMBL23979429

SCHEMBL23979429

C=CC(=O)OCCC(C)(C)CC(C)(F)CCOC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.44
CYP3A4 P08684 2/20 0.44
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL8966168 0.84 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8965918 0.79 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28323101 0.79 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28272864 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26661208 0.77 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL23493970 0.77 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL25121369 0.77 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28009030 0.77 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL23214366 0.77 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1015244 0.76 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10

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-20210339457-A1 FLOW CELLS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-11-04 US disclosed