SCHEMBL22042871

SCHEMBL22042871

C=CC(=O)OC=C(C)C(=O)OCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
HPGD P15428 1/20 0.53
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
HCAR2 Q8TDS4 2/20 0.44
NAAA Q02083 1/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.40
FAAH O00519 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 6/20 0.39

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
SCHEMBL22572644 1.00 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28116365 1.00 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL22572577 1.00 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL25426670 1.00 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28788510 1.00 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL25216801 1.00 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL25185169 0.98 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL23674606 0.94 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28117633 0.88 HCAR2 (0.54) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL9248652 0.87 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4HCAR2

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
WO-2020116793-A1 LATEX COMPOSITION FOR DIP MOLDING, MANUFACTURING METHOD THEREFOR, AND MOLDED ARTICLE THEREFROM 주식회사 엘지화학 2020-06-11 WO disclosed
CN-105829359-A Process for producing short-chain macromolecules based on acrylate monomers 德莎欧洲公司 2016-08-03 CN disclosed