SCHEMBL30525713

SCHEMBL30525713

CCCCCCCCCCCC(=O)C(O)CO.[Na]

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL16611117 0.98 CES2 (0.57) CES2KDM4EDUSP3MEN1KMT2A
SCHEMBL27616264 0.98 CES2 (0.57) CES2KDM4EDUSP3MEN1KMT2A
SCHEMBL27795537 0.98 CES2 (0.57) CES2KDM4EDUSP3MEN1KMT2A
SCHEMBL27708030 0.98 CES2 (0.57) CES2KDM4EDUSP3MEN1KMT2A
SCHEMBL27420660 0.98 CES2 (0.57) CES2KDM4EDUSP3MEN1KMT2A
SCHEMBL8901709 0.96 CES2 (0.54) CES2KDM4EDUSP3MEN1KMT2A
Sulfuric Acid SCHEMBL3381375 0.87 CES2 (0.47) CES2KDM4EDUSP3MEN1KMT2A
Sulfuric Acid SCHEMBL27496113 0.87 CES2 (0.47) CES2KDM4EDUSP3MEN1KMT2A
SCHEMBL27616207 0.87 TERT (0.58) DUSP3MEN1KMT2ALMNAMAPT
SCHEMBL3099789 0.83 CES2 (0.59) CES2CES1

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
CN-116546961-A Composition for product protection comprising (bio) -alkanediol and antimicrobial agent 西姆莱斯股份公司 2023-08-04 CN disclosed