SCHEMBL30439643

SCHEMBL30439643

NC(=O)CCCCC(=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.50
CES2 O00748 5/20 0.41
CES1 P23141 5/20 0.41
KMT2A Q03164 4/20 0.39
SOAT1 P35610 2/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.35
BLM P54132 3/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 2/20 0.35
PMP22 Q01453 2/20 0.35
LDHA P00338 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30159413 0.94 FAAH (0.45) FAAHCES2CES1KMT2ASOAT1
SCHEMBL28721888 0.94 FAAH (0.54) FAAHCES2CES1KMT2AMEN1
SCHEMBL28907900 0.84 CES2 (0.55) FAAHCES2CES1KMT2ASOAT1
SCHEMBL125606 0.83 KMT2A (0.48) FAAHKMT2ASOAT1MEN1TP53
SCHEMBL21373849 0.80 FAAH (0.41) FAAHCES2CES1KMT2ASOAT1
SCHEMBL1367098 0.80 FAAH (0.73) FAAHCES2CES1KMT2AMEN1
SCHEMBL25293609 0.79 KMT2A (0.52) FAAHCES2CES1KMT2ASOAT1
SCHEMBL42735 0.79 KMT2A (0.52) FAAHCES2CES1KMT2ASOAT1
SCHEMBL15007818 0.79 KMT2A (0.52) FAAHCES2CES1KMT2ASOAT1
SCHEMBL25288050 0.79 KMT2A (0.52) FAAHCES2CES1KMT2ASOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP claimed