SCHEMBL988138

SCHEMBL988138

CCCNC(=O)C(CNC(=O)CCC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KDM4A O75164 1/20 0.50
ASAH1 Q13510 1/20 0.50
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
NAAA Q02083 2/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
PAX8 Q06710 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL985564 0.92 ASAH1 (0.54) POLBKDM4AASAH1MTNR1AMTNR1B
SCHEMBL988168 0.91 NAAA (0.59) POLBKDM4AASAH1NAAACYP3A4
SCHEMBL988509 0.90 ASAH1 (0.51) POLBKDM4AASAH1MTNR1AMTNR1B
SCHEMBL989842 0.87 ASAH1 (0.51) POLBKDM4AASAH1MTNR1AMTNR1B
SCHEMBL27094297 0.82 ASAH1 (0.52) ASAH1MTNR1AMTNR1BCYP3A4CYP2C19
SCHEMBL987677 0.82 ASAH1 (0.52) ASAH1MTNR1AMTNR1BCYP3A4CYP2C19
SCHEMBL4986585 0.76 ASAH1 (0.55) ASAH1MTNR1AMTNR1BCYP3A4CYP2C19
SCHEMBL6443377 0.75 CTSK (0.55)
SCHEMBL6443393 0.75 CTSK (0.43) POLBKDM4AASAH1CYP3A4CYP2C19
SCHEMBL6432979 0.75 CNR1 (0.69) CYP3A4CYP2C19CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4322935-A1 AMIDE DERIVATIVES OF BUTYRIC ACID FOR USE IN THE TREATMENT OR PREVENTION OF SARS-COV-2 INFECTION Rhea Innovations S.R.L. (IT) 2024-02-21 EP claimed
WO-2022219020-A1 AMIDE DERIVATIVES OF BUTYRIC ACID FOR USE IN THE TREATMENT OR PREVENTION OF SARS-COV-2 INFECTION RHEA INNOVATIONS S.R.L. (IT) 2022-10-20 WO claimed
EP-2268605-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PAIA- TABILITY Berni Canani, Roberto (IT) 2011-01-05 EP claimed
WO-2009130735-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY BERNI CANANI ROBERTO (IT) 2009-10-29 WO claimed
EP-4322935-A1 AMIDE DERIVATIVES OF BUTYRIC ACID FOR USE IN THE TREATMENT OR PREVENTION OF SARS-COV-2 INFECTION Rhea Innovations S.R.L. (IT) 2024-02-21 EP disclosed
WO-2022219020-A1 AMIDE DERIVATIVES OF BUTYRIC ACID FOR USE IN THE TREATMENT OR PREVENTION OF SARS-COV-2 INFECTION RHEA INNOVATIONS S.R.L. (IT) 2022-10-20 WO disclosed