SCHEMBL21177926

SCHEMBL21177926

C=CC(=O)OCCOCCOCCOC(=O)C(C)=COC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.61
ALDH1A1 P00352 5/20 0.61
TP53 P04637 3/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 1/20 0.61
THRB P10828 3/20 0.47
HPGD P15428 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22325553 0.85 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9875480 0.85 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3792123 0.81 MEN1 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL546279 0.81 MEN1 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL988933 0.81 MEN1 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL23088654 0.81 MEN1 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17049503 0.80 TSHR (0.86) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15495125 0.80 TSHR (0.86) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL16051406 0.80 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10658823 0.80 TSHR (0.70) 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-2019142956-A1 PHOTOSENSITIVE RESIN COMPOSITION, COLOR FILTER COMPRISING BLACK MATRIX, COLUMN SPACER OR BLACK COLUMN SPACER AND MANUFACTURED USING SAME, AND DISPLAY APPARATUS COMPRISING COLOR FILTER 동우 화인켐 주식회사 2019-07-25 WO disclosed