SCHEMBL23979736

SCHEMBL23979736

C=CC(=O)OCC[C@@H]1CC2C3CC(COC(=O)C=C)C(C3)[C@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.34
THRB P10828 2/20 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
SCHEMBL23979426 0.92 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18386364 0.92 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19771570 0.92 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21778999 0.89 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11921514 0.89 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14384320 0.89 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12737057 0.85 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12737069 0.83 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21123490 0.83 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12957834 0.83 TSHR (0.31) TSHRHPGD

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