SCHEMBL987942

SCHEMBL987942

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
MAPT P10636 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL27094294 0.90 EPHX1 (0.45) EPHX1TP53LMNAHSD17B10MEN1
SCHEMBL987331 0.84 EPHX1 (0.47) EPHX1TP53LMNAHSD17B10KMT2A
SCHEMBL4494122 0.75 EPHX1 (0.58) EPHX1MAPTCHRM1GAAHTT
SCHEMBL6904222 0.75 EPHX1 (0.58) EPHX1MAPTCHRM1GAAHTT
SCHEMBL2183709 0.73 EPHX1 (0.59) EPHX1CYP2C9CYP2C19LMNAHSD17B10
Fenbutyramide SCHEMBL232920 0.72 EPHX1 (0.63) EPHX1RECQLLMNAHSD17B10MEN1
Fenbutyramide SCHEMBL1477997 0.72 EPHX1 (0.63) EPHX1RECQLLMNAHSD17B10MEN1
Fenbutyramide SCHEMBL1478462 0.72 EPHX1 (0.63) EPHX1RECQLLMNAHSD17B10MEN1
Fenbutyramide SCHEMBL15995561 0.71 EPHX1 (0.61) EPHX1RECQLLMNAHSD17B10MEN1
SCHEMBL27094297 0.71 ASAH1 (0.52) EPHX1HPGDCYP2C19MAPTCYP3A4

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 8 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
EP-2268605-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PAIA- TABILITY Berni Canani, Roberto (IT) 2011-01-05 EP disclosed
WO-2009130735-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY BERNI CANANI ROBERTO (IT) 2009-10-29 WO disclosed