SCHEMBL6676445

SCHEMBL6676445

CC(C)(CO)C(O)C(=O)NCCO

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.79
KCNH2 Q12809 1/20 0.79
VNN1 O95497 13/20 0.54
USP2 O75604 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7044196 0.92 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7044200 0.92 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7045821 0.92 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7044206 0.92 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL7045827 0.92 PTGS1 (0.79) PTGS1KCNH2VNN1USP2MEN1
SCHEMBL29930601 0.90 PTGS1 (0.66) PTGS1KCNH2VNN1USP2MEN1
Panthenol SCHEMBL1228499 0.89 PTGS1 (1.00) PTGS1KCNH2VNN1USP2MEN1
Dexpanthenol SCHEMBL15861 0.89 PTGS1 (1.00) PTGS1KCNH2VNN1USP2MEN1
Dexpanthenol SCHEMBL807508 0.89 PTGS1 (1.00) PTGS1KCNH2VNN1USP2MEN1
Panthenol SCHEMBL15567 0.89 PTGS1 (1.00) PTGS1KCNH2VNN1USP2MEN1

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
EP-4008335-A1 COMPOSITION COMPRISING MELALEUCA ALTERNIFOLIA ESSENTIAL OIL, USE AND METHOD Vingerhoets Jensen, Susanne (NL) 2022-06-08 EP disclosed
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed