SCHEMBL23948580

SCHEMBL23948580

CCCCCCC(=O)N[C@H](C(=O)N[C@@H](C)C(C)=O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
PLA2G2A P14555 1/20 0.47
PLA2G5 P39877 1/20 0.47
DNM1 Q05193 1/20 0.46
PLA2G10 O15496 2/20 0.43
HSP90AA1 P07900 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
ASAH2 Q9NR71 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ASAH1 Q13510 1/20 0.42
ACER2 Q5QJU3 1/20 0.42
CTSL P07711 1/20 0.41

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
SCHEMBL19401626 0.98 FAAH (0.53) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL13467397 0.96 FAAH (0.51) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL17860260 0.94 FAAH (0.46) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL30018617 0.88 FAAH (0.62) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL30018188 0.88 FAAH (0.62) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL30076306 0.86 FAAH (0.60) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL13467299 0.85 FAAH (0.61) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL15381911 0.85 FAAH (0.61) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL13821695 0.84 FAAH (0.51) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL10028943 0.84 FAAH (0.51) FAAHMEN1KMT2AMAPK1PLA2G2A

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
WO-2021211984-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2021-10-21 WO disclosed