SCHEMBL987331

SCHEMBL987331

CCCC(=O)N(C)CC(C(N)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
UBE2N P61088 1/20 0.40
DUT P33316 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
GAA P10253 1/20 0.38
AOC3 Q16853 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL987942 0.84 EPHX1 (0.46) EPHX1TP53KMT2AGAALMNA
SCHEMBL27094294 0.83 EPHX1 (0.45) EPHX1TP53UBE2NKMT2AGAA
SCHEMBL6904222 0.79 EPHX1 (0.58) EPHX1NPC1RAB9AUBE2NGAA
SCHEMBL4494122 0.79 EPHX1 (0.58) EPHX1NPC1RAB9AUBE2NGAA
SCHEMBL2183709 0.74 EPHX1 (0.59) EPHX1AOC3TRPM8ALOX5LMNA
Fenbutyramide SCHEMBL1478462 0.73 EPHX1 (0.63) EPHX1KMT2AGAABCHELMNA
Fenbutyramide SCHEMBL1477997 0.73 EPHX1 (0.63) EPHX1KMT2AGAABCHELMNA
Fenbutyramide SCHEMBL232920 0.73 EPHX1 (0.63) EPHX1KMT2AGAABCHELMNA
Fenbutyramide SCHEMBL15995561 0.72 EPHX1 (0.61) EPHX1KMT2AGAABCHELMNA
SCHEMBL27094297 0.72 ASAH1 (0.52) EPHX1ALOX5

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