SCHEMBL21940386

SCHEMBL21940386

C=CC(=O)OCCOC(=O)NCCCCCCNC(=O)OCCOCCOCCOCCOC(=O)NCCCCCCNC(=O)OCCOC(=O)C=C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
ALDH1A1 P00352 3/20 0.63
TP53 P04637 2/20 0.63
HIF1A Q16665 2/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP3A4 P08684 1/20 0.53
ACHE P22303 12/20 0.49
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.44
TGM2 P21980 1/20 0.43

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
SCHEMBL5942991 0.95 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11511294 0.95 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13872040 0.93 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26574747 0.92 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14998174 0.92 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6239710 0.91 TSHR (0.51) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21148424 0.90 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21148422 0.90 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21148421 0.90 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13872044 0.90 TSHR (0.68) 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
WO-2020064849-A1 PHOTO-CROSSLINKABLE COMPOSITIONS FOR FABRICS CLIPSO PRODUCTIONS (FR) 2020-04-02 WO disclosed