SCHEMBL23799289

SCHEMBL23799289

C#C[C@H](NC(=O)[C@@H](NC(=O)CCCCCC)C(C)C)C(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
DNM1 Q05193 1/20 0.40
PLA2G10 O15496 2/20 0.39
NOD1 Q9Y239 2/20 0.38
PLA2G2C Q5R387 1/20 0.38
ASAH2 Q9NR71 1/20 0.38
CTSL P07711 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ASAH1 Q13510 1/20 0.37
ACER2 Q5QJU3 1/20 0.37
CNR2 P34972 2/20 0.36

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
SCHEMBL13821695 0.80 FAAH (0.51) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL13120987 0.80 FAAH (0.51) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL10028943 0.80 FAAH (0.51) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL7416427 0.76 FAAH (0.61) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL30018188 0.75 FAAH (0.62) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL30018617 0.75 FAAH (0.62) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL23948580 0.75 FAAH (0.56) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL5822159 0.75 FAAH (0.59) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL5822156 0.75 FAAH (0.59) FAAHMEN1KMT2AMAPK1PLA2G2A
SCHEMBL16285974 0.74 FAAH (0.57) 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-2021178818-A2 THERAPEUTIC AGENTS AND CONJUGATES THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-09-10 WO disclosed