SCHEMBL10547653

SCHEMBL10547653

CC=CC(=O)OCCOCCOCCOCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 4/20 0.52
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.46
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 5/20 0.42
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSTP1 P09211 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL13241272 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL19292019 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL1070177 0.98 ALDH1A1 (0.54) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL1070176 0.98 ALDH1A1 (0.54) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL1637673 0.92 TSHR (0.54) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL30849896 0.92 TSHR (0.54) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL5182220 0.90 ALDH1A1 (0.58) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL2962177 0.90 ALDH1A1 (0.58) ALDH1A1TSHRTP53HIF1AHSD17B10
Ether SCHEMBL10547650 0.89 ALDH1A1 (0.43) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL2898088 0.87 ALDH1A1 (0.60) ALDH1A1TSHRTP53HIF1AHSD17B10

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
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 CN disclosed
US-4839409-A ORGANOTIN OR NONTIN METAL SALTS MORTON THIOKOL, INC. (US) 1989-06-13 US disclosed