SCHEMBL989842

SCHEMBL989842

CCCC(=O)NCC(C(=O)NC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.51
ALOX5 P09917 1/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4A O75164 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL988509 0.88 ASAH1 (0.51) ASAH1ALOX5CYP2C19CYP3A4L3MBTL1
SCHEMBL988138 0.87 POLB (0.52) ASAH1ALOX5CYP2C19CYP3A4L3MBTL1
SCHEMBL985564 0.85 ASAH1 (0.54) ASAH1CYP2C19CYP3A4MTNR1AMTNR1B
SCHEMBL987677 0.84 ASAH1 (0.52) ASAH1ALOX5CYP2C19CYP3A4L3MBTL1
SCHEMBL27094297 0.84 ASAH1 (0.52) ASAH1ALOX5CYP2C19CYP3A4L3MBTL1
SCHEMBL988168 0.83 NAAA (0.59) ASAH1CYP2C19CYP3A4ALDH1A1HPGD
SCHEMBL23320094 0.83 ALDH1A1 (0.49) ALDH1A1POLBCRHBPCRHR2LMNA
SCHEMBL528413 0.78 CYP1A2 (0.56) CYP2C19CYP3A4ALDH1A1POLBCRHBP
SCHEMBL2049579 0.77 ALDH1A1 (0.66) CYP3A4ALDH1A1MAPTPOLBCRHBP
SCHEMBL4986585 0.77 ASAH1 (0.55) ASAH1ALOX5CYP2C19CYP3A4L3MBTL1

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