SCHEMBL20074481

SCHEMBL20074481

C=CC(=C)OCC(C)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 7/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.32

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
SCHEMBL39919 0.90 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12862497 0.89 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11928879 0.84 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19075488 0.82 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL23333769 0.82 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19084453 0.82 ALDH1A1 (0.42) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13762537 0.81 THRB (0.60) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12975220 0.81 THRB (0.60) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20462129 0.81 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL180609 0.80 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11167264-B2 Packing material for liquid chromatography SHOWA DENKO K.K. (JP) 2021-11-09 US disclosed
US-20180104669-A1 PACKING MATERIAL FOR LIQUID CHROMATOGRAPHY SHOWA DENKO K.K. (JP) 2018-04-19 US disclosed