SCHEMBL29026128

SCHEMBL29026128

[CH2]COC(=O)OC[C@@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DGKA P23743 1/20 0.36
FAAH O00519 4/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 2/20 0.31
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL44490 0.89 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2904697 0.89 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2904704 0.89 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
Glycerin SCHEMBL28991424 0.86 LMNA (0.47) LMNAKDM4EDUSP3MEN1KMT2A
Bicarbonate SCHEMBL27957894 0.84 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL21063352 0.83 LMNA (0.42) LMNAKDM4EDUSP3MEN1KMT2A
Alcohol SCHEMBL20504373 0.82 LMNA (0.53) LMNAKDM4EDUSP3MEN1KMT2A
Allyl Alcohol SCHEMBL27836124 0.81 LMNA (0.41) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL4337039 0.79 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
Acrylic Acid SCHEMBL23581831 0.79 LMNA (0.40) LMNAKDM4EDUSP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118304295-A Pharmaceutical composition of endothelin A (ETA) receptor antagonist compound and application thereof 深圳信立泰药业股份有限公司 2024-07-09 CN disclosed
CN-117447453-A Pharmaceutically acceptable salt crystal forms of endothelin A (ETA) receptor antagonist compounds and preparation method thereof 深圳信立泰药业股份有限公司 2024-01-26 CN disclosed
CN-116194449-A Endothelin A (ETA) receptor antagonist compound and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-05-30 CN disclosed